CID 66941

Einecs 203-418-3

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCN(C)CCN(C)C

InChI

InChI=1S/C7H18N2/c1-5-9(4)7-6-8(2)3/h5-7H2,1-4H3

InChIKey

ZOBHKNDSXINZGQ-UHFFFAOYSA-N

Compound name

N'-ethyl-N,N,N'-trimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 881
Patents: 130.147 Da
Monoisotopic Mass: 0.7
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]+	131.154276	131.8
[M+Na]+	153.136218	137.2
[M-H]-	129.139724	134.9
[M+NH4]+	148.180823	154.8
[M+K]+	169.110158	139.6
[M+H-H2O]+	113.144260	126.1
[M+HCOO]-	175.145201	158.3
[M+CH3COO]-	189.160851	187.1
[M+Na-2H]-	151.121666	137.2
[M]+	130.14645142	134.4
[M]-	130.14754858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe