CID 66545206

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

Structural Information

Molecular Formula
C11H14N4
SMILES
CCC1=CN(N=N1)C2=C(C=CC(=C2)N)C
InChI
InChI=1S/C11H14N4/c1-3-10-7-15(14-13-10)11-6-9(12)5-4-8(11)2/h4-7H,3,12H2,1-2H3
InChIKey
SCFOPNIRUCAQIL-UHFFFAOYSA-N
Compound name
3-(4-ethyltriazol-1-yl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 145.5
[M+Na]+ 225.111058 155.4
[M-H]- 201.114564 148.6
[M+NH4]+ 220.155663 162.4
[M+K]+ 241.084998 151.4
[M+H-H2O]+ 185.119100 136.7
[M+HCOO]- 247.120041 168.1
[M+CH3COO]- 261.135691 188.7
[M+Na-2H]- 223.096506 149.8
[M]+ 202.12129142 145.4
[M]- 202.12238858 145.4
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.