CID 62679632
3-(3-amino-5-methyl-1h-pyrazol-1-yl)propanenitrile
Structural Information
- Molecular Formula
- C7H10N4
- SMILES
- CC1=CC(=NN1CCC#N)N
- InChI
- InChI=1S/C7H10N4/c1-6-5-7(9)10-11(6)4-2-3-8/h5H,2,4H2,1H3,(H2,9,10)
- InChIKey
- VVCMXMNDBNUCJJ-UHFFFAOYSA-N
- Compound name
- 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 151.09783 | 129.2 |
[M+Na]+ | 173.07977 | 139.4 |
[M-H]- | 149.08327 | 129.4 |
[M+NH4]+ | 168.12437 | 147.0 |
[M+K]+ | 189.05371 | 137.5 |
[M+H-H2O]+ | 133.08781 | 115.1 |
[M+HCOO]- | 195.08875 | 148.9 |
[M+CH3COO]- | 209.10440 | 191.0 |
[M+Na-2H]- | 171.06522 | 133.7 |
[M]+ | 150.09000 | 123.7 |
[M]- | 150.09110 | 123.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.