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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.