CID 36995565

1135283-67-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 139.0
[M+Na]+ 202.04746 152.3
[M+NH4]+ 197.09206 146.4
[M+K]+ 218.02140 149.1
[M-H]- 178.05096 146.8
[M+Na-2H]- 200.03291 147.2
[M]+ 179.05769 144.0
[M]- 179.05879 144.0
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