CID 135455844

675830-69-0

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CC1=CC(=O)NC2=CC(=NN12)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-4-2-7(12)9-6-3-5(8(13)14)10-11(4)6/h2-3H,1H3,(H,9,12)(H,13,14)
InChIKey
IDXDCHOXWPFNFU-UHFFFAOYSA-N
Compound name
7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 136.8
[M+Na]+ 216.037958 149.1
[M-H]- 192.041464 136.4
[M+NH4]+ 211.082563 154.3
[M+K]+ 232.011898 145.3
[M+H-H2O]+ 176.046000 130.2
[M+HCOO]- 238.046941 156.8
[M+CH3COO]- 252.062591 177.7
[M+Na-2H]- 214.023406 142.8
[M]+ 193.04819142 138.7
[M]- 193.04928858 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