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

163
Patents

148.07489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 128.5
[M+Na]+ 171.06411 141.4
[M-H]- 147.06761 128.8
[M+NH4]+ 166.10871 148.0
[M+K]+ 187.03805 138.4
[M+H-H2O]+ 131.07215 120.5
[M+HCOO]- 193.07309 150.5
[M+CH3COO]- 207.08874 142.9
[M+Na-2H]- 169.04956 137.6
[M]+ 148.07434 131.6
[M]- 148.07544 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