CID 30491482
949020-60-4
Structural Information
- Molecular Formula
- C10H14N2O3
- SMILES
- CC1=C(C(=NN1CCC(=O)OC)C)C=O
- InChI
- InChI=1S/C10H14N2O3/c1-7-9(6-13)8(2)12(11-7)5-4-10(14)15-3/h6H,4-5H2,1-3H3
- InChIKey
- NDUFFKJPKSHLPD-UHFFFAOYSA-N
- Compound name
- methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 211.10773 | 144.6 |
[M+Na]+ | 233.08967 | 154.5 |
[M-H]- | 209.09317 | 146.3 |
[M+NH4]+ | 228.13427 | 163.2 |
[M+K]+ | 249.06361 | 153.2 |
[M+H-H2O]+ | 193.09771 | 137.9 |
[M+HCOO]- | 255.09865 | 167.0 |
[M+CH3COO]- | 269.11430 | 187.8 |
[M+Na-2H]- | 231.07512 | 146.7 |
[M]+ | 210.09990 | 150.0 |
[M]- | 210.10100 | 150.0 |
Literature stripe
Patent stripe
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