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]+ 215.12912 147.3
[M+Na]+ 237.11106 155.2
[M-H]- 213.11456 150.3
[M+NH4]+ 232.15566 164.0
[M+K]+ 253.08500 150.6
[M+H-H2O]+ 197.11910 137.9
[M+HCOO]- 259.12004 166.6
[M+CH3COO]- 273.13569 158.9
[M+Na-2H]- 235.09651 152.8
[M]+ 214.12129 143.1
[M]- 214.12239 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.