CID 97514

40538-81-6

Structural Information

Molecular Formula

C₈H₂₁N₃

SMILES

CN(C)CCNCCN(C)C

InChI

InChI=1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3

InChIKey

JPJMSWSYYHNPLD-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 844
Patents: 159.17355 Da
Monoisotopic Mass: -0.1
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]+	160.18083	139.4
[M+Na]+	182.16277	147.1
[M+NH4]+	177.20737	147.4
[M+K]+	198.13671	141.9
[M-H]-	158.16627	141.3
[M+Na-2H]-	180.14822	143.5
[M]+	159.17300	140.7
[M]-	159.17410	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe