CID 95283

6334-25-4

Structural Information

Molecular Formula
C14H28N2O6
SMILES
C(CCC(=O)N(CCO)CCO)CC(=O)N(CCO)CCO
InChI
InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2
InChIKey
OKRNLSUTBJUVKA-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-hydroxyethyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3039
Patents

320.19473 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20201 178.1
[M+Na]+ 343.18395 178.6
[M-H]- 319.18745 174.1
[M+NH4]+ 338.22855 189.8
[M+K]+ 359.15789 178.8
[M+H-H2O]+ 303.19199 170.7
[M+HCOO]- 365.19293 196.1
[M+CH3COO]- 379.20858 209.0
[M+Na-2H]- 341.16940 175.7
[M]+ 320.19418 181.3
[M]- 320.19528 181.3
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.