CID 10534815

29274-35-9

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC1=CC(=O)N2C(=N1)C=CN2
InChI
InChI=1S/C7H7N3O/c1-5-4-7(11)10-6(9-5)2-3-8-10/h2-4,8H,1H3
InChIKey
SYPDOBOILKZQJY-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

149.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 126.5
[M+Na]+ 172.04813 139.0
[M-H]- 148.05163 126.9
[M+NH4]+ 167.09273 146.5
[M+K]+ 188.02207 135.3
[M+H-H2O]+ 132.05617 119.6
[M+HCOO]- 194.05711 148.8
[M+CH3COO]- 208.07276 141.0
[M+Na-2H]- 170.03358 135.3
[M]+ 149.05836 127.9
[M]- 149.05946 127.9
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