(-)-14-serratene (C30H50)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC3[C@@](C1CC[C@H]4C(=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C2)(CCCC3(C)C)C

InChI

InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,28-,29+,30-/m0/s1

InChIKey

NIALLGCBSYYMNQ-RYUGGBRLSA-N

Compound name

(3S,11S,15S,16S,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene

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]+	411.398546	205.0
[M+Na]+	433.380488	208.6
[M-H]-	409.383994	209.5
[M+NH4]+	428.425093	227.1
[M+K]+	449.354428	200.9
[M+H-H2O]+	393.388530	194.2
[M+HCOO]-	455.389471	206.3
[M+CH3COO]-	469.405121	210.2
[M+Na-2H]-	431.365936	203.3
[M]+	410.39072142	192.8
[M]-	410.39181858	192.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.398546

205.0

[M+Na]+

433.380488

208.6

[M-H]-

409.383994

209.5

[M+NH4]+

428.425093

227.1

[M+K]+

449.354428

200.9

[M+H-H2O]+

393.388530

194.2

[M+HCOO]-

455.389471

206.3

[M+CH3COO]-

469.405121

210.2

[M+Na-2H]-

431.365936

203.3

[M]+

410.39072142

192.8

[M]-

410.39181858

192.8

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

(-)-14-serratene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe