CID 135616914
Chembl253951
Structural Information
- Molecular Formula
- C14H17NO3
- SMILES
- C1CCC(CC1)C(=O)O/N=C/C2=CC=C(C=C2)O
- InChI
- InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
- InChIKey
- YWZBYSBZDQWXGQ-XNTDXEJSSA-N
- Compound name
- [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.12813 | 155.6 |
[M+Na]+ | 270.11007 | 159.4 |
[M-H]- | 246.11357 | 161.2 |
[M+NH4]+ | 265.15467 | 171.9 |
[M+K]+ | 286.08401 | 157.1 |
[M+H-H2O]+ | 230.11811 | 147.8 |
[M+HCOO]- | 292.11905 | 176.7 |
[M+CH3COO]- | 306.13470 | 193.1 |
[M+Na-2H]- | 268.09552 | 159.2 |
[M]+ | 247.12030 | 152.1 |
[M]- | 247.12140 | 152.1 |