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

31040
Patents

146.15315 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.16043 133.4
[M+Na]+ 169.14237 137.4
[M-H]- 145.14587 133.3
[M+NH4]+ 164.18697 153.3
[M+K]+ 185.11631 137.4
[M+H-H2O]+ 129.15041 126.7
[M+HCOO]- 191.15135 159.7
[M+CH3COO]- 205.16700 188.6
[M+Na-2H]- 167.12782 137.3
[M]+ 146.15260 129.6
[M]- 146.15370 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.