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]+ 150.077416 127.2
[M+Na]+ 172.059358 138.6
[M-H]- 148.062864 126.8
[M+NH4]+ 167.103963 145.7
[M+K]+ 188.033298 135.5
[M+H-H2O]+ 132.067400 118.8
[M+HCOO]- 194.068341 150.0
[M+CH3COO]- 208.083991 140.9
[M+Na-2H]- 170.044806 137.2
[M]+ 149.06959142 127.9
[M]- 149.07068858 127.9
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.