CID 137935534

2248334-62-3

Structural Information

Molecular Formula
C9H10ClN3O
SMILES
CC1=C(NN2C1=NC(=CC2=O)CCl)C
InChI
InChI=1S/C9H10ClN3O/c1-5-6(2)12-13-8(14)3-7(4-10)11-9(5)13/h3,12H,4H2,1-2H3
InChIKey
CQMPMFLZLFHCLX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,3-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05852 142.1
[M+Na]+ 234.04046 156.2
[M-H]- 210.04396 142.6
[M+NH4]+ 229.08506 161.0
[M+K]+ 250.01440 150.3
[M+H-H2O]+ 194.04850 135.6
[M+HCOO]- 256.04944 158.9
[M+CH3COO]- 270.06509 155.9
[M+Na-2H]- 232.02591 147.7
[M]+ 211.05069 146.7
[M]- 211.05179 146.7
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.