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]+ 195.07642 138.0
[M+Na]+ 217.05836 144.5
[M-H]- 193.06186 140.9
[M+NH4]+ 212.10296 149.1
[M+K]+ 233.03230 145.7
[M+H-H2O]+ 177.06640 125.9
[M+HCOO]- 239.06734 157.2
[M+CH3COO]- 253.08299 183.3
[M+Na-2H]- 215.04381 140.2
[M]+ 194.06859 146.3
[M]- 194.06969 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.