CID 137943629

2260917-95-9

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1C(CC1N2C=CC(=N2)C=O)C(=O)O
InChI
InChI=1S/C9H10N2O3/c12-5-7-1-2-11(10-7)8-3-6(4-8)9(13)14/h1-2,5-6,8H,3-4H2,(H,13,14)
InChIKey
IAJCOVDMUXKLEZ-UHFFFAOYSA-N
Compound name
3-(3-formylpyrazol-1-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 138.0
[M+Na]+ 217.058358 144.5
[M-H]- 193.061864 140.9
[M+NH4]+ 212.102963 149.1
[M+K]+ 233.032298 145.7
[M+H-H2O]+ 177.066400 125.9
[M+HCOO]- 239.067341 157.2
[M+CH3COO]- 253.082991 183.3
[M+Na-2H]- 215.043806 140.2
[M]+ 194.06859142 146.3
[M]- 194.06968858 146.3
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.