CID 130067912
1374657-50-7
Structural Information
- Molecular Formula
- C8H9NO3
- SMILES
- C1CC(=O)CC(C1)(C#N)C(=O)O
- InChI
- InChI=1S/C8H9NO3/c9-5-8(7(11)12)3-1-2-6(10)4-8/h1-4H2,(H,11,12)
- InChIKey
- AAQCXGSLMLNNOQ-UHFFFAOYSA-N
- Compound name
- 1-cyano-3-oxocyclohexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.06552 | 134.5 |
[M+Na]+ | 190.04746 | 143.6 |
[M-H]- | 166.05096 | 136.9 |
[M+NH4]+ | 185.09206 | 154.1 |
[M+K]+ | 206.02140 | 140.9 |
[M+H-H2O]+ | 150.05550 | 124.1 |
[M+HCOO]- | 212.05644 | 150.8 |
[M+CH3COO]- | 226.07209 | 186.9 |
[M+Na-2H]- | 188.03291 | 139.2 |
[M]+ | 167.05769 | 126.5 |
[M]- | 167.05879 | 126.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.