CID 170913748
3-(2-cyanophenyl)cyclobutane-1-carboxylic acid
Structural Information
- Molecular Formula
- C12H11NO2
- SMILES
- C1C(CC1C(=O)O)C2=CC=CC=C2C#N
- InChI
- InChI=1S/C12H11NO2/c13-7-8-3-1-2-4-11(8)9-5-10(6-9)12(14)15/h1-4,9-10H,5-6H2,(H,14,15)
- InChIKey
- YIJRANKYCQKSJJ-UHFFFAOYSA-N
- Compound name
- 3-(2-cyanophenyl)cyclobutane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.08626 | 146.3 |
[M+Na]+ | 224.06820 | 153.8 |
[M+NH4]+ | 219.11280 | 147.4 |
[M+K]+ | 240.04214 | 146.8 |
[M-H]- | 200.07170 | 139.3 |
[M+Na-2H]- | 222.05365 | 147.7 |
[M]+ | 201.07843 | 143.5 |
[M]- | 201.07953 | 143.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.