CID 10308018

Glycerol dilactate

Structural Information

Molecular Formula
C9H16O7
SMILES
CC(C(=O)OCC(CO)OC(=O)C(C)O)O
InChI
InChI=1S/C9H16O7/c1-5(11)8(13)15-4-7(3-10)16-9(14)6(2)12/h5-7,10-12H,3-4H2,1-2H3
InChIKey
PVSDCKDNZFNSMO-UHFFFAOYSA-N
Compound name
[3-hydroxy-2-(2-hydroxypropanoyloxy)propyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

236.0896 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.096876 151.2
[M+Na]+ 259.078818 155.1
[M-H]- 235.082324 146.9
[M+NH4]+ 254.123423 166.2
[M+K]+ 275.052758 156.4
[M+H-H2O]+ 219.086860 146.0
[M+HCOO]- 281.087801 166.6
[M+CH3COO]- 295.103451 184.5
[M+Na-2H]- 257.064266 149.1
[M]+ 236.08905142 153.2
[M]- 236.09014858 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe