PubChemLite - Am7499 (C24H36O5)

Structural Information

Molecular Formula

SMILES

CCCCOC(=O)C(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)CO)O

InChI

InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1

InChIKey

OSVHLUXLWQLPIY-KBAYOESNSA-N

Compound name

butyl 2-[(6aR,9R,10aR)-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-2-methylpropanoate

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]+	405.26358	199.1
[M+Na]+	427.24552	208.3
[M+NH4]+	422.29012	206.3
[M+K]+	443.21946	201.4
[M-H]-	403.24902	200.5
[M+Na-2H]-	425.23097	199.7
[M]+	404.25575	200.9
[M]-	404.25685	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.26358

199.1

[M+Na]+

427.24552

208.3

[M+NH4]+

422.29012

206.3

[M+K]+

443.21946

201.4

[M-H]-

403.24902

200.5

[M+Na-2H]-

425.23097

199.7

[M]+

404.25575

200.9

[M]-

404.25685

200.9

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

Am7499

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe