CID 4122516
1-(meta-tolyl)-cycloheptanol
Structural Information
- Molecular Formula
- C14H20O
- SMILES
- CC1=CC(=CC=C1)C2(CCCCCC2)O
- InChI
- InChI=1S/C14H20O/c1-12-7-6-8-13(11-12)14(15)9-4-2-3-5-10-14/h6-8,11,15H,2-5,9-10H2,1H3
- InChIKey
- MKYLGWYNYOPVSE-UHFFFAOYSA-N
- Compound name
- 1-(3-methylphenyl)cycloheptan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.15869 | 145.7 |
[M+Na]+ | 227.14063 | 149.0 |
[M-H]- | 203.14413 | 151.4 |
[M+NH4]+ | 222.18523 | 164.4 |
[M+K]+ | 243.11457 | 149.7 |
[M+H-H2O]+ | 187.14867 | 140.6 |
[M+HCOO]- | 249.14961 | 163.9 |
[M+CH3COO]- | 263.16526 | 184.8 |
[M+Na-2H]- | 225.12608 | 150.2 |
[M]+ | 204.15086 | 137.8 |
[M]- | 204.15196 | 137.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.