CID 169505

33376-96-4

Structural Information

Molecular Formula
C6H7N5
SMILES
CC1=NC2=NC=NN2C(=C1)N
InChI
InChI=1S/C6H7N5/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,7H2,1H3
InChIKey
WCHZTJMYPRSTPF-UHFFFAOYSA-N
Compound name
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

40
Patents

149.07014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.077416 128.1
[M+Na]+ 172.059358 140.5
[M-H]- 148.062864 128.2
[M+NH4]+ 167.103963 146.9
[M+K]+ 188.033298 137.3
[M+H-H2O]+ 132.067400 120.0
[M+HCOO]- 194.068341 150.9
[M+CH3COO]- 208.083991 142.2
[M+Na-2H]- 170.044806 137.3
[M]+ 149.06959142 129.2
[M]- 149.07068858 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe