CID 68113

(2s)-4-oxo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid hydrobromide

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1[C@H](NC2=CC=CC=C2C1=O)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-4,8,11H,5H2,(H,13,14)/t8-/m0/s1
InChIKey
VYOPZMJTHXGKID-QMMMGPOBSA-N
Compound name
(2S)-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

191.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.9
[M+Na]+ 214.04746 145.4
[M-H]- 190.05096 138.3
[M+NH4]+ 209.09206 155.7
[M+K]+ 230.02140 141.9
[M+H-H2O]+ 174.05550 131.9
[M+HCOO]- 236.05644 154.8
[M+CH3COO]- 250.07209 177.7
[M+Na-2H]- 212.03291 143.4
[M]+ 191.05769 134.0
[M]- 191.05879 134.0
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