CID 44144849

Einecs 308-419-3

Structural Information

Molecular Formula
C14H26O8
SMILES
CC(=C)C(=O)OCC(CO)(CO)COCC(CO)(CO)CO
InChI
InChI=1S/C14H26O8/c1-11(2)12(20)22-10-14(6-18,7-19)9-21-8-13(3-15,4-16)5-17/h15-19H,1,3-10H2,2H3
InChIKey
ARLZPYTZGIRZMB-UHFFFAOYSA-N
Compound name
[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

322.16278 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.170056 174.6
[M+Na]+ 345.151998 176.4
[M-H]- 321.155504 166.7
[M+NH4]+ 340.196603 168.5
[M+K]+ 361.125938 175.1
[M+H-H2O]+ 305.160040 169.7
[M+HCOO]- 367.160981 179.5
[M+CH3COO]- 381.176631 195.7
[M+Na-2H]- 343.137446 175.3
[M]+ 322.16223142 177.1
[M]- 322.16332858 177.1
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