CID 86277097

1-cyclobutyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CC(C1)N2C=CC=C(C2=O)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-9-8(10(13)14)5-2-6-11(9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,13,14)
InChIKey
QXCQOGBBDXKUQT-UHFFFAOYSA-N
Compound name
1-cyclobutyl-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 136.8
[M+Na]+ 216.063118 143.5
[M-H]- 192.066624 140.9
[M+NH4]+ 211.107723 147.7
[M+K]+ 232.037058 144.4
[M+H-H2O]+ 176.071160 124.8
[M+HCOO]- 238.072101 156.4
[M+CH3COO]- 252.087751 183.6
[M+Na-2H]- 214.048566 141.0
[M]+ 193.07335142 144.4
[M]- 193.07444858 144.4
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