CID 66029

103-55-9

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CN(C)CCNCC1=CC=CC=C1

InChI

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

InChIKey

LLSJAFHDYCTFCM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 678
Patents: 178.147 Da
Monoisotopic Mass: 1.5
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	141.3
[M+Na]+	201.136218	146.2
[M-H]-	177.139724	145.8
[M+NH4]+	196.180823	161.4
[M+K]+	217.110158	145.1
[M+H-H2O]+	161.144260	134.3
[M+HCOO]-	223.145201	167.7
[M+CH3COO]-	237.160851	190.6
[M+Na-2H]-	199.121666	148.2
[M]+	178.14645142	141.6
[M]-	178.14754858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe