CID 16227198

2-chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC1=CC2=C(C=C1)N(CCC2)C(=O)CCl
InChI
InChI=1S/C12H14ClNO2/c1-16-10-4-5-11-9(7-10)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3
InChIKey
XJPUWRWIBSSPSL-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

239.0713 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 150.3
[M+Na]+ 262.06052 158.5
[M-H]- 238.06402 153.0
[M+NH4]+ 257.10512 168.7
[M+K]+ 278.03446 154.5
[M+H-H2O]+ 222.06856 144.1
[M+HCOO]- 284.06950 164.6
[M+CH3COO]- 298.08515 190.5
[M+Na-2H]- 260.04597 155.2
[M]+ 239.07075 152.0
[M]- 239.07185 152.0
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