CID 61347077

2-(dimethyl-1h-1,2,4-triazol-1-yl)aniline

Structural Information

Molecular Formula
C10H12N4
SMILES
CC1=NN(C(=N1)C)C2=CC=CC=C2N
InChI
InChI=1S/C10H12N4/c1-7-12-8(2)14(13-7)10-6-4-3-5-9(10)11/h3-6H,11H2,1-2H3
InChIKey
YMRCSZSITNDYBS-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,2,4-triazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 140.9
[M+Na]+ 211.09542 151.4
[M-H]- 187.09892 144.3
[M+NH4]+ 206.14002 158.4
[M+K]+ 227.06936 147.6
[M+H-H2O]+ 171.10346 132.4
[M+HCOO]- 233.10440 164.0
[M+CH3COO]- 247.12005 154.3
[M+Na-2H]- 209.08087 145.8
[M]+ 188.10565 140.5
[M]- 188.10675 140.5
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.