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
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 |