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]+ 178.108716 138.0
[M+Na]+ 200.090658 150.4
[M-H]- 176.094164 138.1
[M+NH4]+ 195.135263 156.0
[M+K]+ 216.064598 146.7
[M+H-H2O]+ 160.098700 129.8
[M+HCOO]- 222.099641 160.1
[M+CH3COO]- 236.115291 151.5
[M+Na-2H]- 198.076106 145.3
[M]+ 177.10089142 140.1
[M]- 177.10198858 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.