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]+ 203.12912 145.5
[M+Na]+ 225.11106 155.4
[M-H]- 201.11456 148.6
[M+NH4]+ 220.15566 162.4
[M+K]+ 241.08500 151.4
[M+H-H2O]+ 185.11910 136.7
[M+HCOO]- 247.12004 168.1
[M+CH3COO]- 261.13569 188.7
[M+Na-2H]- 223.09651 149.8
[M]+ 202.12129 145.4
[M]- 202.12239 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.