CID 13294670

1-ethyl-5-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCN1C(=O)CCC2=C1C=CC=C2O
InChI
InChI=1S/C11H13NO2/c1-2-12-9-4-3-5-10(13)8(9)6-7-11(12)14/h3-5,13H,2,6-7H2,1H3
InChIKey
RLMKVSQXWVJYEO-UHFFFAOYSA-N
Compound name
1-ethyl-5-hydroxy-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.0
[M+Na]+ 214.08386 148.6
[M-H]- 190.08736 142.0
[M+NH4]+ 209.12846 159.1
[M+K]+ 230.05780 145.3
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 158.7
[M+CH3COO]- 250.10849 182.2
[M+Na-2H]- 212.06931 145.9
[M]+ 191.09409 138.6
[M]- 191.09519 138.6
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