CID 49835902

3-methoxy-7,8-dihydroquinolin-5(6h)-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC2=C(CCCC2=O)N=C1
InChI
InChI=1S/C10H11NO2/c1-13-7-5-8-9(11-6-7)3-2-4-10(8)12/h5-6H,2-4H2,1H3
InChIKey
KRLDAUCPMQZKBM-UHFFFAOYSA-N
Compound name
3-methoxy-7,8-dihydro-6H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 134.9
[M+Na]+ 200.068198 143.3
[M-H]- 176.071704 138.0
[M+NH4]+ 195.112803 154.9
[M+K]+ 216.042138 141.2
[M+H-H2O]+ 160.076240 128.2
[M+HCOO]- 222.077181 155.5
[M+CH3COO]- 236.092831 180.5
[M+Na-2H]- 198.053646 142.5
[M]+ 177.07843142 134.5
[M]- 177.07952858 134.5
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

patents stripe