CID 1484491
Dimethyl 1h-pyrazole-3,5-dicarboxylate
Structural Information
- Molecular Formula
- C7H8N2O4
- SMILES
- COC(=O)C1=CC(=NN1)C(=O)OC
- InChI
- InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)
- InChIKey
- SIPQVJNEQSWAOK-UHFFFAOYSA-N
- Compound name
- dimethyl 1H-pyrazole-3,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.05568 | 137.9 |
[M+Na]+ | 207.03762 | 147.0 |
[M+NH4]+ | 202.08222 | 142.9 |
[M+K]+ | 223.01156 | 146.3 |
[M-H]- | 183.04112 | 135.2 |
[M+Na-2H]- | 205.02307 | 140.6 |
[M]+ | 184.04785 | 137.8 |
[M]- | 184.04895 | 137.8 |