CID 75355593

150190-28-6

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC1C2=CC(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-4-6(9(12)13)3-7(10-8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKey
SRFWIYLEHUULCU-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-oxo-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

179.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.0
[M+Na]+ 202.04746 146.5
[M-H]- 178.05096 140.3
[M+NH4]+ 197.09206 148.8
[M+K]+ 218.02140 141.9
[M+H-H2O]+ 162.05550 129.6
[M+HCOO]- 224.05644 156.9
[M+CH3COO]- 238.07209 178.6
[M+Na-2H]- 200.03291 141.0
[M]+ 179.05769 137.0
[M]- 179.05879 137.0
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