CID 42281516

[1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethanamine hydrochloride

Structural Information

Molecular Formula
C6H7N5
SMILES
C1=CN2C(=NN=C2N=C1)CN
InChI
InChI=1S/C6H7N5/c7-4-5-9-10-6-8-2-1-3-11(5)6/h1-3H,4,7H2
InChIKey
DENZBZRUPVQZIX-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.07014 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 126.5
[M+Na]+ 172.05936 139.8
[M+NH4]+ 167.10396 134.2
[M+K]+ 188.03330 136.0
[M-H]- 148.06286 127.1
[M+Na-2H]- 170.04481 133.8
[M]+ 149.06959 128.4
[M]- 149.07069 128.4
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.