CID 12637931

6228-26-8

Structural Information

Molecular Formula
C11H24O8
SMILES
C(C(CO)(CO)COCOCC(CO)(CO)CO)O
InChI
InChI=1S/C11H24O8/c12-1-10(2-13,3-14)7-18-9-19-8-11(4-15,5-16)6-17/h12-17H,1-9H2
InChIKey
VQRQSFLPGGRPFF-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

284.14713 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15441 162.9
[M+Na]+ 307.13635 165.5
[M+NH4]+ 302.18095 164.1
[M+K]+ 323.11029 166.4
[M-H]- 283.13985 154.6
[M+Na-2H]- 305.12180 159.4
[M]+ 284.14658 160.1
[M]- 284.14768 160.1
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