CID 4640815

7-methoxy-1,2,3,4-tetrahydroquinolin-4-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC2=C(C=C1)C(=O)CCN2
InChI
InChI=1S/C10H11NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-3,6,11H,4-5H2,1H3
InChIKey
FXMJBPUDUVWRGI-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dihydro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

177.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.5
[M+Na]+ 200.06820 143.6
[M-H]- 176.07170 137.3
[M+NH4]+ 195.11280 154.9
[M+K]+ 216.04214 140.5
[M+H-H2O]+ 160.07624 129.2
[M+HCOO]- 222.07718 154.6
[M+CH3COO]- 236.09283 178.0
[M+Na-2H]- 198.05365 142.7
[M]+ 177.07843 133.3
[M]- 177.07953 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe