CID 28887886

1040326-79-1

Structural Information

Molecular Formula
C12H14N4
SMILES
C1CCN2C(=NN=C2C3=CC=C(C=C3)N)C1
InChI
InChI=1S/C12H14N4/c13-10-6-4-9(5-7-10)12-15-14-11-3-1-2-8-16(11)12/h4-7H,1-3,8,13H2
InChIKey
KCPFTLWQDHXIEE-UHFFFAOYSA-N
Compound name
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 147.3
[M+Na]+ 237.111058 155.2
[M-H]- 213.114564 150.3
[M+NH4]+ 232.155663 164.0
[M+K]+ 253.084998 150.6
[M+H-H2O]+ 197.119100 137.9
[M+HCOO]- 259.120041 166.6
[M+CH3COO]- 273.135691 158.9
[M+Na-2H]- 235.096506 152.8
[M]+ 214.12129142 143.1
[M]- 214.12238858 143.1
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.