CID 24277536

88371-25-9

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-9-4-2-8(11(14)15)6-7(9)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,14,15)
InChIKey
BDQUEXZLCXOYOO-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.5
[M+Na]+ 228.063118 150.0
[M-H]- 204.066624 143.6
[M+NH4]+ 223.107723 159.8
[M+K]+ 244.037058 147.2
[M+H-H2O]+ 188.071160 135.3
[M+HCOO]- 250.072101 159.6
[M+CH3COO]- 264.087751 184.4
[M+Na-2H]- 226.048566 146.3
[M]+ 205.07335142 140.2
[M]- 205.07444858 140.2
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