CID 21454434

57368-83-9

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)CCl

InChI

InChI=1S/C12H14ClNO/c1-9-4-5-11-10(7-9)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3

InChIKey

YEQHPVJKRJVMAC-UHFFFAOYSA-N

Compound name

2-chloro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 223.07639 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.083666	147.4
[M+Na]+	246.065608	155.7
[M-H]-	222.069114	150.1
[M+NH4]+	241.110213	166.6
[M+K]+	262.039548	151.1
[M+H-H2O]+	206.073650	141.4
[M+HCOO]-	268.074591	161.5
[M+CH3COO]-	282.090241	188.5
[M+Na-2H]-	244.051056	152.2
[M]+	223.07584142	147.6
[M]-	223.07693858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe