CID 61277109

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

Structural Information

Molecular Formula
C10H12N4
SMILES
CC1=C(C=C(C=C1)C2=NNC(=N2)C)N
InChI
InChI=1S/C10H12N4/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3,(H,12,13,14)
InChIKey
SWCMPQVMSNJSOE-UHFFFAOYSA-N
Compound name
2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.1062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 141.3
[M+Na]+ 211.09542 154.3
[M+NH4]+ 206.14002 148.7
[M+K]+ 227.06936 150.2
[M-H]- 187.09892 143.7
[M+Na-2H]- 209.08087 148.7
[M]+ 188.10565 143.6
[M]- 188.10675 143.6
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

patents stripe