CID 71778069

3-{[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H11N5
SMILES
C1=C(C=NC2=NC=NN21)CCCN
InChI
InChI=1S/C8H11N5/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3,9H2
InChIKey
FRMAJTQNTIPOIK-UHFFFAOYSA-N
Compound name
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.10144 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.108716 136.2
[M+Na]+ 200.090658 146.7
[M-H]- 176.094164 135.5
[M+NH4]+ 195.135263 153.5
[M+K]+ 216.064598 143.1
[M+H-H2O]+ 160.098700 127.3
[M+HCOO]- 222.099641 158.3
[M+CH3COO]- 236.115291 149.0
[M+Na-2H]- 198.076106 145.2
[M]+ 177.10089142 137.5
[M]- 177.10198858 137.5
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.