CID 54592682

1267216-40-9

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C)C1CCC2=C(C1)C=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C13H17NO3/c1-7(2)8-3-4-11-9(5-8)6-10(13(16)17)12(15)14-11/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
FFVHBWCZMRJKOR-UHFFFAOYSA-N
Compound name
2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 152.3
[M+Na]+ 258.11007 163.3
[M+NH4]+ 253.15467 159.0
[M+K]+ 274.08401 158.7
[M-H]- 234.11357 152.2
[M+Na-2H]- 256.09552 155.1
[M]+ 235.12030 153.5
[M]- 235.12140 153.5
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

No patent data available for this compound.