CID 50896801
1260659-21-9
Structural Information
- Molecular Formula
- C9H12N2O2
- SMILES
- CN1C(=CC(=N1)C2CC2)CC(=O)O
- InChI
- InChI=1S/C9H12N2O2/c1-11-7(5-9(12)13)4-8(10-11)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,13)
- InChIKey
- UYPLEXRAASOZFR-UHFFFAOYSA-N
- Compound name
- 2-(5-cyclopropyl-2-methylpyrazol-3-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.09715 | 141.9 |
[M+Na]+ | 203.07909 | 152.5 |
[M-H]- | 179.08259 | 146.0 |
[M+NH4]+ | 198.12369 | 155.8 |
[M+K]+ | 219.05303 | 148.5 |
[M+H-H2O]+ | 163.08713 | 134.8 |
[M+HCOO]- | 225.08807 | 163.0 |
[M+CH3COO]- | 239.10372 | 182.3 |
[M+Na-2H]- | 201.06454 | 144.7 |
[M]+ | 180.08932 | 145.0 |
[M]- | 180.09042 | 145.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.