CID 53474093

[1-(2-methylphenyl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC=CC=C1N2C=C(N=N2)CO
InChI
InChI=1S/C10H11N3O/c1-8-4-2-3-5-10(8)13-6-9(7-14)11-12-13/h2-6,14H,7H2,1H3
InChIKey
QTJUUGNDIUSRTF-UHFFFAOYSA-N
Compound name
[1-(2-methylphenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

189.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.8
[M+Na]+ 212.07943 154.6
[M+NH4]+ 207.12403 148.4
[M+K]+ 228.05337 150.1
[M-H]- 188.08293 142.6
[M+Na-2H]- 210.06488 148.8
[M]+ 189.08966 143.2
[M]- 189.09076 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe