CID 40176631

2-[3-(propan-2-yl)-1h-1,2,4-triazol-5-yl]aniline

Structural Information

Molecular Formula
C11H14N4
SMILES
CC(C)C1=NC(=NN1)C2=CC=CC=C2N
InChI
InChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKey
AQXJICYQPAOGGM-UHFFFAOYSA-N
Compound name
2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 145.9
[M+Na]+ 225.111058 154.2
[M-H]- 201.114564 147.5
[M+NH4]+ 220.155663 161.7
[M+K]+ 241.084998 149.9
[M+H-H2O]+ 185.119100 137.3
[M+HCOO]- 247.120041 166.1
[M+CH3COO]- 261.135691 157.6
[M+Na-2H]- 223.096506 149.4
[M]+ 202.12129142 143.0
[M]- 202.12238858 143.0
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.