CID 75480595
2-(4-methoxycyclohexylidene)acetonitrile
Structural Information
- Molecular Formula
- C9H13NO
- SMILES
- COC1CCC(=CC#N)CC1
- InChI
- InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h6,9H,2-5H2,1H3
- InChIKey
- SPBXZUHBIRCWRE-UHFFFAOYSA-N
- Compound name
- 2-(4-methoxycyclohexylidene)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 152.10700 | 131.1 |
[M+Na]+ | 174.08894 | 139.4 |
[M-H]- | 150.09244 | 134.2 |
[M+NH4]+ | 169.13354 | 150.4 |
[M+K]+ | 190.06288 | 136.6 |
[M+H-H2O]+ | 134.09698 | 119.6 |
[M+HCOO]- | 196.09792 | 148.8 |
[M+CH3COO]- | 210.11357 | 188.1 |
[M+Na-2H]- | 172.07439 | 135.9 |
[M]+ | 151.09917 | 123.4 |
[M]- | 151.10027 | 123.4 |
Literature stripe
No literature data available for this compound.