CID 647149

64500-54-5

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CCC2=C(C1)C=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKey
AUVZLBBKIYHBIO-UHFFFAOYSA-N
Compound name
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

40
Patents

193.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.3
[M+Na]+ 216.063118 145.8
[M-H]- 192.066624 138.7
[M+NH4]+ 211.107723 156.1
[M+K]+ 232.037058 142.3
[M+H-H2O]+ 176.071160 132.3
[M+HCOO]- 238.072101 155.2
[M+CH3COO]- 252.087751 177.8
[M+Na-2H]- 214.048566 143.8
[M]+ 193.07335142 134.4
[M]- 193.07444858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe