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]+ 180.065516 136.0
[M+Na]+ 202.047458 146.5
[M-H]- 178.050964 140.3
[M+NH4]+ 197.092063 148.8
[M+K]+ 218.021398 141.9
[M+H-H2O]+ 162.055500 129.6
[M+HCOO]- 224.056441 156.9
[M+CH3COO]- 238.072091 178.6
[M+Na-2H]- 200.032906 141.0
[M]+ 179.05769142 137.0
[M]- 179.05878858 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