CID 14510324
1-tert-butyl-1h-pyrazole-4-carbaldehyde
Structural Information
- Molecular Formula
- C8H12N2O
- SMILES
- CC(C)(C)N1C=C(C=N1)C=O
- InChI
- InChI=1S/C8H12N2O/c1-8(2,3)10-5-7(6-11)4-9-10/h4-6H,1-3H3
- InChIKey
- KXRJDLZPCNTHJN-UHFFFAOYSA-N
- Compound name
- 1-tert-butylpyrazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.10224 | 133.0 |
[M+Na]+ | 175.08418 | 144.3 |
[M+NH4]+ | 170.12878 | 140.3 |
[M+K]+ | 191.05812 | 141.1 |
[M-H]- | 151.08768 | 132.4 |
[M+Na-2H]- | 173.06963 | 138.3 |
[M]+ | 152.09441 | 134.3 |
[M]- | 152.09551 | 134.3 |