CID 110005283

1566188-58-6

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=NN(C(=N1)C)CC2=CC=C(C=C2)CO
InChI
InChI=1S/C12H15N3O/c1-9-13-10(2)15(14-9)7-11-3-5-12(8-16)6-4-11/h3-6,16H,7-8H2,1-2H3
InChIKey
VDXXACIUFPOTHP-UHFFFAOYSA-N
Compound name
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 149.2
[M+Na]+ 240.11072 159.0
[M-H]- 216.11422 151.3
[M+NH4]+ 235.15532 165.3
[M+K]+ 256.08466 154.9
[M+H-H2O]+ 200.11876 140.7
[M+HCOO]- 262.11970 169.8
[M+CH3COO]- 276.13535 187.0
[M+Na-2H]- 238.09617 153.0
[M]+ 217.12095 150.7
[M]- 217.12205 150.7
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.