CID 97514

N'-[2-(dimethylamino)ethyl]-n,n-dimethylethylenediamine

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
3
Annotation Hits

0
References

767
Patents

159.17355 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.180826 140.7
[M+Na]+ 182.162768 144.7
[M-H]- 158.166274 143.4
[M+NH4]+ 177.207373 162.0
[M+K]+ 198.136708 146.7
[M+H-H2O]+ 142.170810 134.0
[M+HCOO]- 204.171751 167.7
[M+CH3COO]- 218.187401 195.0
[M+Na-2H]- 180.148216 145.6
[M]+ 159.17300142 142.7
[M]- 159.17409858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe