CID 56851120

Schembl18825566

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCC=O
InChI
InChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16)
InChIKey
UEXWWBPDALYPLF-UHFFFAOYSA-N
Compound name
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.9
[M+Na]+ 256.09442 157.8
[M-H]- 232.09792 152.1
[M+NH4]+ 251.13902 167.8
[M+K]+ 272.06836 153.9
[M+H-H2O]+ 216.10246 143.8
[M+HCOO]- 278.10340 169.3
[M+CH3COO]- 292.11905 188.3
[M+Na-2H]- 254.07987 156.5
[M]+ 233.10465 150.5
[M]- 233.10575 150.5
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.