CID 61125

Beta-caryophyllene alcohol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CC2C1CCC3(CCCC2(C3)O)C)C
InChI
InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3
InChIKey
FUQAYSQLAOJBBC-UHFFFAOYSA-N
Compound name
4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

1228
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 157.6
[M+Na]+ 245.18758 162.4
[M-H]- 221.19108 161.2
[M+NH4]+ 240.23218 176.3
[M+K]+ 261.16152 161.6
[M+H-H2O]+ 205.19562 151.6
[M+HCOO]- 267.19656 169.0
[M+CH3COO]- 281.21221 194.9
[M+Na-2H]- 243.17303 163.0
[M]+ 222.19781 159.6
[M]- 222.19891 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.