CID 5565

Triethylenetetramine

Structural Information

Molecular Formula
C6H18N4
SMILES
C(CNCCNCCN)N
InChI
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
InChIKey
VILCJCGEZXAXTO-UHFFFAOYSA-N
Compound name
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

648
References

73282
Patents

146.15315 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.160426 131.6
[M+Na]+ 169.142368 135.3
[M-H]- 145.145874 130.5
[M+NH4]+ 164.186973 151.0
[M+K]+ 185.116308 134.3
[M+H-H2O]+ 129.150410 125.0
[M+HCOO]- 191.151351 158.0
[M+CH3COO]- 205.167001 185.9
[M+Na-2H]- 167.127816 137.5
[M]+ 146.15260142 127.5
[M]- 146.15369858 127.5
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