CID 73557223

125304-16-7

Structural Information

Molecular Formula
C11H18O7
SMILES
CC(COC(=O)C=CC(=O)OCCOCCO)O
InChI
InChI=1S/C11H18O7/c1-9(13)8-18-11(15)3-2-10(14)17-7-6-16-5-4-12/h2-3,9,12-13H,4-8H2,1H3
InChIKey
HCUTXRPPASLFQF-UHFFFAOYSA-N
Compound name
1-O-[2-(2-hydroxyethoxy)ethyl] 4-O-(2-hydroxypropyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.10526 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11254 159.4
[M+Na]+ 285.09448 164.6
[M+NH4]+ 280.13908 161.9
[M+K]+ 301.06842 163.0
[M-H]- 261.09798 153.5
[M+Na-2H]- 283.07993 157.3
[M]+ 262.10471 157.6
[M]- 262.10581 157.6
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.