CID 296048

84434-83-3

Structural Information

Molecular Formula

C₁₃H₂₁ClN₂

SMILES

CCN(CC)CCNCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3

InChIKey

QMHPWYDPGOPWPA-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 240.13933 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]+	241.14661	157.7
[M+Na]+	263.12855	163.6
[M-H]-	239.13205	161.9
[M+NH4]+	258.17315	176.5
[M+K]+	279.10249	159.9
[M+H-H2O]+	223.13659	151.3
[M+HCOO]-	285.13753	178.9
[M+CH3COO]-	299.15318	201.5
[M+Na-2H]-	261.11400	162.2
[M]+	240.13878	161.3
[M]-	240.13988	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe