CID 88748

Bis(4-hydroxybutyl) adipate

Structural Information

Molecular Formula
C14H26O6
SMILES
C(CCC(=O)OCCCCO)CC(=O)OCCCCO
InChI
InChI=1S/C14H26O6/c15-9-3-5-11-19-13(17)7-1-2-8-14(18)20-12-6-4-10-16/h15-16H,1-12H2
InChIKey
MIPAMDMBINCYQD-UHFFFAOYSA-N
Compound name
bis(4-hydroxybutyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1885
Patents

290.17294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.180216 171.0
[M+Na]+ 313.162158 173.9
[M-H]- 289.165664 167.0
[M+NH4]+ 308.206763 184.9
[M+K]+ 329.136098 172.6
[M+H-H2O]+ 273.170200 164.6
[M+HCOO]- 335.171141 189.0
[M+CH3COO]- 349.186791 196.6
[M+Na-2H]- 311.147606 170.5
[M]+ 290.17239142 177.3
[M]- 290.17348858 177.3
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.