CID 66034

104-79-0

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCN(CC)CCNC

InChI

InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3

InChIKey

MKDYQLJYEBWUIG-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-methylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1777
Patents: 130.147 Da
Monoisotopic Mass: 0.6
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]+	131.15428	131.7
[M+Na]+	153.13622	136.9
[M-H]-	129.13972	133.2
[M+NH4]+	148.18082	154.0
[M+K]+	169.11016	137.8
[M+H-H2O]+	113.14426	126.1
[M+HCOO]-	175.14520	157.6
[M+CH3COO]-	189.16085	183.5
[M+Na-2H]-	151.12167	137.8
[M]+	130.14645	133.0
[M]-	130.14755	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe