CID 7063998

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

Structural Information

Molecular Formula
C11H12N4
SMILES
C1CC1C2=NC(=NN2)C3=CC=CC=C3N
InChI
InChI=1S/C11H12N4/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2,(H,13,14,15)
InChIKey
YIDQJALYMDZXKO-UHFFFAOYSA-N
Compound name
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

200.1062 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 146.6
[M+Na]+ 223.09542 160.7
[M+NH4]+ 218.14002 154.9
[M+K]+ 239.06936 157.4
[M-H]- 199.09892 157.0
[M+Na-2H]- 221.08087 157.3
[M]+ 200.10565 152.5
[M]- 200.10675 152.5
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

No patent data available for this compound.