CID 118204

Dtxsid20956499

Structural Information

Molecular Formula

C₁₂H₁₈ClN

SMILES

CC(CC1=CC=CC=C1)N(C)CCCl

InChI

InChI=1S/C12H18ClN/c1-11(14(2)9-8-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChIKey

FDGWQBDPBWXMSG-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-methyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 211.11278 Da
Monoisotopic Mass: 3.2
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]+	212.120056	148.9
[M+Na]+	234.101998	154.9
[M-H]-	210.105504	153.2
[M+NH4]+	229.146603	168.9
[M+K]+	250.075938	151.9
[M+H-H2O]+	194.110040	143.1
[M+HCOO]-	256.110981	168.5
[M+CH3COO]-	270.126631	193.5
[M+Na-2H]-	232.087446	153.3
[M]+	211.11223142	151.9
[M]-	211.11332858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe