CID 79132269
1-(hydroxymethyl)cycloheptane-1-carbonitrile
Structural Information
- Molecular Formula
- C9H15NO
- SMILES
- C1CCCC(CC1)(CO)C#N
- InChI
- InChI=1S/C9H15NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-6,8H2
- InChIKey
- RVCFJLHPJIAHEK-UHFFFAOYSA-N
- Compound name
- 1-(hydroxymethyl)cycloheptane-1-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 154.12265 | 130.3 |
[M+Na]+ | 176.10459 | 136.1 |
[M-H]- | 152.10809 | 133.1 |
[M+NH4]+ | 171.14919 | 148.9 |
[M+K]+ | 192.07853 | 136.3 |
[M+H-H2O]+ | 136.11263 | 120.0 |
[M+HCOO]- | 198.11357 | 145.8 |
[M+CH3COO]- | 212.12922 | 187.6 |
[M+Na-2H]- | 174.09004 | 135.8 |
[M]+ | 153.11482 | 119.1 |
[M]- | 153.11592 | 119.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.