CID 81585
5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
Structural Information
- Molecular Formula
- C12H9N5
- SMILES
- C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N
- InChI
- InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2
- InChIKey
- GUHSDYKJSKLWJF-UHFFFAOYSA-N
- Compound name
- 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.09308 | 159.9 |
[M+Na]+ | 246.07502 | 169.8 |
[M-H]- | 222.07852 | 161.6 |
[M+NH4]+ | 241.11962 | 170.2 |
[M+K]+ | 262.04896 | 164.8 |
[M+H-H2O]+ | 206.08306 | 141.9 |
[M+HCOO]- | 268.08400 | 171.6 |
[M+CH3COO]- | 282.09965 | 166.4 |
[M+Na-2H]- | 244.06047 | 160.4 |
[M]+ | 223.08525 | 150.6 |
[M]- | 223.08635 | 150.6 |