CID 12637931

Dtxsid301035059

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 164.3
[M+Na]+ 307.13635 166.7
[M-H]- 283.13985 155.3
[M+NH4]+ 302.18095 175.5
[M+K]+ 323.11029 165.2
[M+H-H2O]+ 267.14439 159.5
[M+HCOO]- 329.14533 175.9
[M+CH3COO]- 343.16098 185.2
[M+Na-2H]- 305.12180 168.3
[M]+ 284.14658 166.6
[M]- 284.14768 166.6
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