CID 12861862

29950-34-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CCN)CC1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-2-13(9-8-12)10-11-6-4-3-5-7-11/h3-7H,2,8-10,12H2,1H3

InChIKey

CMMJQXIVCKIUMN-UHFFFAOYSA-N

Compound name

N'-benzyl-N'-ethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 178.147 Da
Monoisotopic Mass: 1.2
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]+	179.154276	141.7
[M+Na]+	201.136218	146.6
[M-H]-	177.139724	145.6
[M+NH4]+	196.180823	161.5
[M+K]+	217.110158	145.2
[M+H-H2O]+	161.144260	134.7
[M+HCOO]-	223.145201	167.5
[M+CH3COO]-	237.160851	189.9
[M+Na-2H]-	199.121666	147.5
[M]+	178.14645142	141.0
[M]-	178.14754858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe