CID 19820541

3-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1(CC2=CC=CC=C2NC1=O)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-11(10(14)15)6-7-4-2-3-5-8(7)12-9(11)13/h2-5H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
ZSTNDRNEHHDPQB-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.9
[M+Na]+ 228.063118 151.0
[M-H]- 204.066624 143.5
[M+NH4]+ 223.107723 162.2
[M+K]+ 244.037058 147.5
[M+H-H2O]+ 188.071160 137.4
[M+HCOO]- 250.072101 159.5
[M+CH3COO]- 264.087751 180.3
[M+Na-2H]- 226.048566 149.0
[M]+ 205.07335142 139.7
[M]- 205.07444858 139.7
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