CID 22495190

3,3'-oxybis(2-hydroxypropyl) diacetate

Structural Information

Molecular Formula
C10H18O7
SMILES
CC(=O)OCC(COCC(COC(=O)C)O)O
InChI
InChI=1S/C10H18O7/c1-7(11)16-5-9(13)3-15-4-10(14)6-17-8(2)12/h9-10,13-14H,3-6H2,1-2H3
InChIKey
WGYORETUYPJUNQ-UHFFFAOYSA-N
Compound name
[3-(3-acetyloxy-2-hydroxypropoxy)-2-hydroxypropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

250.10526 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.112536 155.2
[M+Na]+ 273.094478 159.3
[M-H]- 249.097984 152.1
[M+NH4]+ 268.139083 170.6
[M+K]+ 289.068418 160.7
[M+H-H2O]+ 233.102520 149.6
[M+HCOO]- 295.103461 172.8
[M+CH3COO]- 309.119111 188.8
[M+Na-2H]- 271.079926 154.5
[M]+ 250.10471142 160.2
[M]- 250.10580858 160.2
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.