CID 7131045
1-cyanocyclopentane-1-carboxylic acid
Structural Information
- Molecular Formula
- C7H9NO2
- SMILES
- C1CCC(C1)(C#N)C(=O)O
- InChI
- InChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10)
- InChIKey
- QNDGUJXCOJMPNP-UHFFFAOYSA-N
- Compound name
- 1-cyanocyclopentane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 140.07060 | 130.6 |
[M+Na]+ | 162.05254 | 139.9 |
[M-H]- | 138.05604 | 132.8 |
[M+NH4]+ | 157.09714 | 152.6 |
[M+K]+ | 178.02648 | 136.9 |
[M+H-H2O]+ | 122.06058 | 119.9 |
[M+HCOO]- | 184.06152 | 148.5 |
[M+CH3COO]- | 198.07717 | 181.8 |
[M+Na-2H]- | 160.03799 | 135.0 |
[M]+ | 139.06277 | 123.0 |
[M]- | 139.06387 | 123.0 |