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

657
References

73313
Patents

146.15315 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.16043 131.6
[M+Na]+ 169.14237 135.3
[M-H]- 145.14587 130.5
[M+NH4]+ 164.18697 151.0
[M+K]+ 185.11631 134.3
[M+H-H2O]+ 129.15041 125.0
[M+HCOO]- 191.15135 158.0
[M+CH3COO]- 205.16700 185.9
[M+Na-2H]- 167.12782 137.5
[M]+ 146.15260 127.5
[M]- 146.15370 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.