CID 23347563

{2-[(3-aminopropyl)(methyl)amino]ethyl}dimethylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

159.17355 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.180826 140.9
[M+Na]+ 182.162768 145.0
[M-H]- 158.166274 143.0
[M+NH4]+ 177.207373 162.0
[M+K]+ 198.136708 146.6
[M+H-H2O]+ 142.170810 134.2
[M+HCOO]- 204.171751 167.3
[M+CH3COO]- 218.187401 194.3
[M+Na-2H]- 180.148216 144.7
[M]+ 159.17300142 141.9
[M]- 159.17409858 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