CID 49765605

847682-00-2

Structural Information

Molecular Formula
C15H28O7
SMILES
CC1(OCC(CO1)OCC(COC2COC(OC2)(C)C)O)C
InChI
InChI=1S/C15H28O7/c1-14(2)19-7-12(8-20-14)17-5-11(16)6-18-13-9-21-15(3,4)22-10-13/h11-13,16H,5-10H2,1-4H3
InChIKey
LKMPEWGOAMMQKB-UHFFFAOYSA-N
Compound name
1,3-bis[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

320.1835 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19078 174.6
[M+Na]+ 343.17272 177.6
[M-H]- 319.17622 181.1
[M+NH4]+ 338.21732 186.3
[M+K]+ 359.14666 182.9
[M+H-H2O]+ 303.18076 168.9
[M+HCOO]- 365.18170 185.0
[M+CH3COO]- 379.19735 203.5
[M+Na-2H]- 341.15817 179.8
[M]+ 320.18295 177.6
[M]- 320.18405 177.6
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