CID 24356

7681-99-4

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=CC(=NC2=NC=NN12)C
InChI
InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)8-4-9-11/h3-4H,1-2H3
InChIKey
WXVQCFALDUVKSC-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

181
Patents

148.07489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 128.5
[M+Na]+ 171.064108 141.4
[M-H]- 147.067614 128.8
[M+NH4]+ 166.108713 148.0
[M+K]+ 187.038048 138.4
[M+H-H2O]+ 131.072150 120.5
[M+HCOO]- 193.073091 150.5
[M+CH3COO]- 207.088741 142.9
[M+Na-2H]- 169.049556 137.6
[M]+ 148.07434142 131.6
[M]- 148.07543858 131.6
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