CID 821219

119192-10-8

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC(=CC=C1CN2C=NC=N2)N
InChI
InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKey
ZGLQVRIVLWGDNA-UHFFFAOYSA-N
Compound name
4-(1,2,4-triazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

174.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.0
[M+Na]+ 197.07977 149.1
[M+NH4]+ 192.12437 144.0
[M+K]+ 213.05371 144.5
[M-H]- 173.08327 138.8
[M+Na-2H]- 195.06522 144.8
[M]+ 174.09000 138.5
[M]- 174.09110 138.5
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