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]+ 177.11348 136.0
[M+Na]+ 199.09542 146.0
[M-H]- 175.09892 136.5
[M+NH4]+ 194.14002 154.8
[M+K]+ 215.06936 142.4
[M+H-H2O]+ 159.10346 127.8
[M+HCOO]- 221.10440 159.2
[M+CH3COO]- 235.12005 149.2
[M+Na-2H]- 197.08087 144.5
[M]+ 176.10565 137.2
[M]- 176.10675 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