CID 12861871

61694-81-3

Structural Information

Molecular Formula

C₁₁H₁₇ClN₂

SMILES

CCN(CCN)CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H17ClN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3

InChIKey

CEGPYWJJEVYOQS-UHFFFAOYSA-N

Compound name

N'-[(3-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 212.10803 Da
Monoisotopic Mass: 2.1
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]+	213.11531	147.4
[M+Na]+	235.09725	159.6
[M+NH4]+	230.14185	156.7
[M+K]+	251.07119	151.8
[M-H]-	211.10075	151.5
[M+Na-2H]-	233.08270	154.7
[M]+	212.10748	150.5
[M]-	212.10858	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe