CID 8197

Tetraethylenepentamine

Structural Information

Molecular Formula
C8H23N5
SMILES
C(CNCCNCCNCCN)N
InChI
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
InChIKey
FAGUFWYHJQFNRV-UHFFFAOYSA-N
Compound name
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2787
References

138396
Patents

189.19534 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.202616 141.2
[M+Na]+ 212.184558 143.3
[M-H]- 188.188064 139.7
[M+NH4]+ 207.229163 158.5
[M+K]+ 228.158498 141.9
[M+H-H2O]+ 172.192600 133.7
[M+HCOO]- 234.193541 167.9
[M+CH3COO]- 248.209191 197.4
[M+Na-2H]- 210.170006 146.5
[M]+ 189.19479142 137.2
[M]- 189.19588858 137.2
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