CID 15575744

80812-36-8

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CC1=NC2=NC(=NN2C(=C1)Cl)C
InChI
InChI=1S/C7H7ClN4/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,1-2H3
InChIKey
GLKHXXSXNAXYNL-UHFFFAOYSA-N
Compound name
7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

182.03592 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04320 134.6
[M+Na]+ 205.02514 148.9
[M-H]- 181.02864 134.8
[M+NH4]+ 200.06974 153.6
[M+K]+ 220.99908 144.3
[M+H-H2O]+ 165.03318 126.8
[M+HCOO]- 227.03412 151.6
[M+CH3COO]- 241.04977 148.8
[M+Na-2H]- 203.01059 142.2
[M]+ 182.03537 139.5
[M]- 182.03647 139.5
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