CID 54296910

(2-aminoethyl)[2-(dimethylamino)ethyl]ethylamine

Structural Information

Molecular Formula
C8H21N3
SMILES
CCN(CCN)CCN(C)C
InChI
InChI=1S/C8H21N3/c1-4-11(6-5-9)8-7-10(2)3/h4-9H2,1-3H3
InChIKey
SBKPHHOZJGYJMO-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

159.17355 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.18083 140.9
[M+Na]+ 182.16277 145.0
[M-H]- 158.16627 143.0
[M+NH4]+ 177.20737 162.0
[M+K]+ 198.13671 146.6
[M+H-H2O]+ 142.17081 134.2
[M+HCOO]- 204.17175 167.3
[M+CH3COO]- 218.18740 194.3
[M+Na-2H]- 180.14822 144.7
[M]+ 159.17300 141.9
[M]- 159.17410 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe