CID 82514

Bis(2-hydroxyethyl) succinate

Structural Information

Molecular Formula
C8H14O6
SMILES
C(CC(=O)OCCO)C(=O)OCCO
InChI
InChI=1S/C8H14O6/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h9-10H,1-6H2
InChIKey
ZVAJQKOBULJJEX-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1457
Patents

206.07904 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 143.7
[M+Na]+ 229.06826 149.2
[M-H]- 205.07176 140.8
[M+NH4]+ 224.11286 161.0
[M+K]+ 245.04220 149.3
[M+H-H2O]+ 189.07630 138.4
[M+HCOO]- 251.07724 163.7
[M+CH3COO]- 265.09289 178.7
[M+Na-2H]- 227.05371 146.3
[M]+ 206.07849 147.8
[M]- 206.07959 147.8
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

patents stripe