CID 115396967
[4-methyl-5-(2-phenylethyl)-4h-1,2,4-triazol-3-yl]methanol
Structural Information
- Molecular Formula
- C12H15N3O
- SMILES
- CN1C(=NN=C1CO)CCC2=CC=CC=C2
- InChI
- InChI=1S/C12H15N3O/c1-15-11(13-14-12(15)9-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3
- InChIKey
- AHCALSPWDHSDNH-UHFFFAOYSA-N
- Compound name
- [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.12878 | 149.0 |
[M+Na]+ | 240.11072 | 157.9 |
[M-H]- | 216.11422 | 150.7 |
[M+NH4]+ | 235.15532 | 164.8 |
[M+K]+ | 256.08466 | 153.8 |
[M+H-H2O]+ | 200.11876 | 140.2 |
[M+HCOO]- | 262.11970 | 169.6 |
[M+CH3COO]- | 276.13535 | 185.8 |
[M+Na-2H]- | 238.09617 | 153.5 |
[M]+ | 217.12095 | 150.0 |
[M]- | 217.12205 | 150.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.