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

5
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 134.9
[M+Na]+ 200.06820 143.3
[M-H]- 176.07170 138.0
[M+NH4]+ 195.11280 154.9
[M+K]+ 216.04214 141.2
[M+H-H2O]+ 160.07624 128.2
[M+HCOO]- 222.07718 155.5
[M+CH3COO]- 236.09283 180.5
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 134.5
[M]- 177.07953 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