CID 77731

Tris(2-aminoethyl)amine

Structural Information

Molecular Formula
C6H18N4
SMILES
C(CN(CCN)CCN)N
InChI
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
InChIKey
MBYLVOKEDDQJDY-UHFFFAOYSA-N
Compound name
N',N'-bis(2-aminoethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

212
References

31353
Patents

146.15315 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.160426 133.4
[M+Na]+ 169.142368 137.4
[M-H]- 145.145874 133.3
[M+NH4]+ 164.186973 153.3
[M+K]+ 185.116308 137.4
[M+H-H2O]+ 129.150410 126.7
[M+HCOO]- 191.151351 159.7
[M+CH3COO]- 205.167001 188.6
[M+Na-2H]- 167.127816 137.3
[M]+ 146.15260142 129.6
[M]- 146.15369858 129.6
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