CID 15707889
(1-phenyl-1h-1,2,4-triazol-3-yl)methanol
Structural Information
- Molecular Formula
- C9H9N3O
- SMILES
- C1=CC=C(C=C1)N2C=NC(=N2)CO
- InChI
- InChI=1S/C9H9N3O/c13-6-9-10-7-12(11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2
- InChIKey
- XWBLAPAPAJWPEZ-UHFFFAOYSA-N
- Compound name
- (1-phenyl-1,2,4-triazol-3-yl)methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.08183 | 135.2 |
[M+Na]+ | 198.06377 | 144.5 |
[M-H]- | 174.06727 | 137.0 |
[M+NH4]+ | 193.10837 | 152.3 |
[M+K]+ | 214.03771 | 141.1 |
[M+H-H2O]+ | 158.07181 | 126.7 |
[M+HCOO]- | 220.07275 | 156.8 |
[M+CH3COO]- | 234.08840 | 148.2 |
[M+Na-2H]- | 196.04922 | 142.1 |
[M]+ | 175.07400 | 134.8 |
[M]- | 175.07510 | 134.8 |
Literature stripe
No literature data available for this compound.