CID 90497

24426-16-2

Structural Information

Molecular Formula

C₈H₂₁N₃

SMILES

CCN(CC)CCNCCN

InChI

InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3

InChIKey

CEFDTSBDWYXVHY-UHFFFAOYSA-N

Compound name

N'-[2-(diethylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 412
Patents: 159.17355 Da
Monoisotopic Mass: -0.4
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]+	160.180826	139.9
[M+Na]+	182.162768	143.8
[M-H]-	158.166274	140.6
[M+NH4]+	177.207373	160.3
[M+K]+	198.136708	144.0
[M+H-H2O]+	142.170810	133.4
[M+HCOO]-	204.171751	165.8
[M+CH3COO]-	218.187401	190.8
[M+Na-2H]-	180.148216	144.6
[M]+	159.17300142	139.7
[M]-	159.17409858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe