CID 131752705

6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-en-4-ol

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=CC2CCC3C(CC(CC3(C24CCC1C4)C)O)(C)CO
InChI
InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3
InChIKey
OXKYBEZXRLIPKC-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-en-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 177.5
[M+Na]+ 327.22945 183.2
[M-H]- 303.23295 178.9
[M+NH4]+ 322.27405 202.3
[M+K]+ 343.20339 176.9
[M+H-H2O]+ 287.23749 171.8
[M+HCOO]- 349.23843 185.2
[M+CH3COO]- 363.25408 186.2
[M+Na-2H]- 325.21490 179.0
[M]+ 304.23968 171.7
[M]- 304.24078 171.7
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.