CID 71778069

1949836-66-1

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]+ 178.10872 136.2
[M+Na]+ 200.09066 146.7
[M-H]- 176.09416 135.5
[M+NH4]+ 195.13526 153.5
[M+K]+ 216.06460 143.1
[M+H-H2O]+ 160.09870 127.3
[M+HCOO]- 222.09964 158.3
[M+CH3COO]- 236.11529 149.0
[M+Na-2H]- 198.07611 145.2
[M]+ 177.10089 137.5
[M]- 177.10199 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.