CID 54593596
1249340-18-8
Structural Information
- Molecular Formula
- C9H10N4
- SMILES
- C1=CC(=CC(=C1)C2=NC=NN2)CN
- InChI
- InChI=1S/C9H10N4/c10-5-7-2-1-3-8(4-7)9-11-6-12-13-9/h1-4,6H,5,10H2,(H,11,12,13)
- InChIKey
- AUKXMWCZHJEYEQ-UHFFFAOYSA-N
- Compound name
- [3-(1H-1,2,4-triazol-5-yl)phenyl]methanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.09783 | 135.8 |
[M+Na]+ | 197.07977 | 144.3 |
[M-H]- | 173.08327 | 137.1 |
[M+NH4]+ | 192.12437 | 152.4 |
[M+K]+ | 213.05371 | 140.0 |
[M+H-H2O]+ | 157.08781 | 127.1 |
[M+HCOO]- | 219.08875 | 157.6 |
[M+CH3COO]- | 233.10440 | 148.1 |
[M+Na-2H]- | 195.06522 | 142.3 |
[M]+ | 174.09000 | 132.3 |
[M]- | 174.09110 | 132.3 |
Literature stripe
No literature data available for this compound.