CID 499881

(2s,13r)-13-(hydroxymethyl)-2,6,6-trimethyltetracyclo[10.3.1.0<1,10>.0<2,7>]hexadecan-13-ol

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@]12CCCC([C@@H]1CC[C@@H]3C24CC[C@@]([C@H](C3)C4)(CO)O)(C)C
InChI
InChI=1S/C20H34O2/c1-17(2)7-4-8-18(3)16(17)6-5-14-11-15-12-19(14,18)9-10-20(15,22)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16-,18-,19?,20-/m0/s1
InChIKey
RKNNWPJUBOKTNO-KGOLYTQXSA-N
Compound name
(2S,7S,10S,12R,13R)-13-(hydroxymethyl)-2,6,6-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 179.4
[M+Na]+ 329.24512 184.4
[M-H]- 305.24862 180.3
[M+NH4]+ 324.28972 205.5
[M+K]+ 345.21906 178.2
[M+H-H2O]+ 289.25316 173.5
[M+HCOO]- 351.25410 185.6
[M+CH3COO]- 365.26975 187.5
[M+Na-2H]- 327.23057 181.4
[M]+ 306.25535 172.4
[M]- 306.25645 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.