CID 676368
4,5-diamino-1,2-benzenedicarbonitrile
Structural Information
- Molecular Formula
- C8H6N4
- SMILES
- C1=C(C(=CC(=C1N)N)C#N)C#N
- InChI
- InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2
- InChIKey
- PCKAZQYWUDIFQM-UHFFFAOYSA-N
- Compound name
- 4,5-diaminobenzene-1,2-dicarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.06653 | 151.6 |
[M+Na]+ | 181.04847 | 161.5 |
[M-H]- | 157.05197 | 154.7 |
[M+NH4]+ | 176.09307 | 164.6 |
[M+K]+ | 197.02241 | 158.8 |
[M+H-H2O]+ | 141.05651 | 136.8 |
[M+HCOO]- | 203.05745 | 165.2 |
[M+CH3COO]- | 217.07310 | 215.2 |
[M+Na-2H]- | 179.03392 | 152.9 |
[M]+ | 158.05870 | 141.3 |
[M]- | 158.05980 | 141.3 |