CID 28819458

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

Structural Information

Molecular Formula
C10H12N4
SMILES
CCN1C=NN=C1C2=CC(=CC=C2)N
InChI
InChI=1S/C10H12N4/c1-2-14-7-12-13-10(14)8-4-3-5-9(11)6-8/h3-7H,2,11H2,1H3
InChIKey
YDKMOMWUDFXPPM-UHFFFAOYSA-N
Compound name
3-(4-ethyl-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 140.5
[M+Na]+ 211.095418 149.9
[M-H]- 187.098924 143.4
[M+NH4]+ 206.140023 157.6
[M+K]+ 227.069358 146.2
[M+H-H2O]+ 171.103460 131.6
[M+HCOO]- 233.104401 163.5
[M+CH3COO]- 247.120051 153.4
[M+Na-2H]- 209.080866 146.1
[M]+ 188.10565142 139.6
[M]- 188.10674858 139.6
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

No patent data available for this compound.