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]+ 206.08118 142.9
[M+Na]+ 228.06312 151.0
[M-H]- 204.06662 143.5
[M+NH4]+ 223.10772 162.2
[M+K]+ 244.03706 147.5
[M+H-H2O]+ 188.07116 137.4
[M+HCOO]- 250.07210 159.5
[M+CH3COO]- 264.08775 180.3
[M+Na-2H]- 226.04857 149.0
[M]+ 205.07335 139.7
[M]- 205.07445 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