CID 135621785

739365-02-7

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CC1=NN2C=C(C(=O)NC2=C1)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-4-2-6-9-7(12)5(8(13)14)3-11(6)10-4/h2-3H,1H3,(H,9,12)(H,13,14)
InChIKey
RQKJPXDXWVKVSM-UHFFFAOYSA-N
Compound name
2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.04874 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 136.8
[M+Na]+ 216.03796 149.1
[M-H]- 192.04146 136.4
[M+NH4]+ 211.08256 154.3
[M+K]+ 232.01190 145.3
[M+H-H2O]+ 176.04600 130.2
[M+HCOO]- 238.04694 156.8
[M+CH3COO]- 252.06259 177.7
[M+Na-2H]- 214.02341 142.8
[M]+ 193.04819 138.7
[M]- 193.04929 138.7
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

patents stripe