Ns00117631 (C24H34O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(CC1[C@@H]3C[C@@H]3C4C2CC[C@]5(C4[C@@H]6C[C@@H]6C57CCC(=O)O7)C)O

InChI

InChI=1S/C24H34O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h12-18,20-21,25H,3-11H2,1-2H3/t12?,13-,14+,15-,16?,17?,18+,20?,21?,22-,23+,24?/m1/s1

InChIKey

QRLGYRXUXCWMCE-AAQOLUSRSA-N

Compound name

(2S,4R,10S,14S,16S,18S)-7-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.258076	191.8
[M+Na]+	393.240018	198.2
[M-H]-	369.243524	197.7
[M+NH4]+	388.284623	203.7
[M+K]+	409.213958	195.1
[M+H-H2O]+	353.248060	188.5
[M+HCOO]-	415.249001	190.5
[M+CH3COO]-	429.264651	197.3
[M+Na-2H]-	391.225466	188.5
[M]+	370.25025142	191.4
[M]-	370.25134858	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.258076

191.8

[M+Na]+

393.240018

198.2

[M-H]-

369.243524

197.7

[M+NH4]+

388.284623

203.7

[M+K]+

409.213958

195.1

[M+H-H2O]+

353.248060

188.5

[M+HCOO]-

415.249001

190.5

[M+CH3COO]-

429.264651

197.3

[M+Na-2H]-

391.225466

188.5

[M]+

370.25025142

191.4

[M]-

370.25134858

191.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ns00117631

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe