CID 39870501

2-(3-methyl-1h-1,2,4-triazol-5-yl)aniline

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=NC(=NN1)C2=CC=CC=C2N
InChI
InChI=1S/C9H10N4/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3,(H,11,12,13)
InChIKey
MIFKRUNSFYRBSB-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.5
[M+Na]+ 197.07977 149.4
[M+NH4]+ 192.12437 144.1
[M+K]+ 213.05371 145.3
[M-H]- 173.08327 138.9
[M+Na-2H]- 195.06522 144.5
[M]+ 174.09000 138.8
[M]- 174.09110 138.8
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