CID 4738217

3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12N4
SMILES
C1=CC2=NN=C(N2C=C1)CCCN
InChI
InChI=1S/C9H12N4/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9/h1-2,4,7H,3,5-6,10H2
InChIKey
RJLABOPWJFIVQY-UHFFFAOYSA-N
Compound name
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.0
[M+Na]+ 199.095418 146.0
[M-H]- 175.098924 136.5
[M+NH4]+ 194.140023 154.8
[M+K]+ 215.069358 142.4
[M+H-H2O]+ 159.103460 127.8
[M+HCOO]- 221.104401 159.2
[M+CH3COO]- 235.120051 149.2
[M+Na-2H]- 197.080866 144.5
[M]+ 176.10565142 137.2
[M]- 176.10674858 137.2
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

patents stripe