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]+ 218.128776 149.2
[M+Na]+ 240.110718 159.0
[M-H]- 216.114224 151.3
[M+NH4]+ 235.155323 165.3
[M+K]+ 256.084658 154.9
[M+H-H2O]+ 200.118760 140.7
[M+HCOO]- 262.119701 169.8
[M+CH3COO]- 276.135351 187.0
[M+Na-2H]- 238.096166 153.0
[M]+ 217.12095142 150.7
[M]- 217.12204858 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.