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]+ 189.11348 140.5
[M+Na]+ 211.09542 149.9
[M-H]- 187.09892 143.4
[M+NH4]+ 206.14002 157.6
[M+K]+ 227.06936 146.2
[M+H-H2O]+ 171.10346 131.6
[M+HCOO]- 233.10440 163.5
[M+CH3COO]- 247.12005 153.4
[M+Na-2H]- 209.08087 146.1
[M]+ 188.10565 139.6
[M]- 188.10675 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.