CID 8899677

{5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C8H11N5
SMILES
CC1=CC(=NC2=NN=C(N12)CN)C
InChI
InChI=1S/C8H11N5/c1-5-3-6(2)13-7(4-9)11-12-8(13)10-5/h3H,4,9H2,1-2H3
InChIKey
QJMKHTZNIRJOKK-UHFFFAOYSA-N
Compound name
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
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 138.0
[M+Na]+ 200.09066 150.4
[M-H]- 176.09416 138.1
[M+NH4]+ 195.13526 156.0
[M+K]+ 216.06460 146.7
[M+H-H2O]+ 160.09870 129.8
[M+HCOO]- 222.09964 160.1
[M+CH3COO]- 236.11529 151.5
[M+Na-2H]- 198.07611 145.3
[M]+ 177.10089 140.1
[M]- 177.10199 140.1
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.