CID 3024891

Einecs 306-849-6

Structural Information

Molecular Formula
C11H24O7
SMILES
COCC(CO)(CO)COCC(CO)(CO)CO
InChI
InChI=1S/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3
InChIKey
NEOLZRRZILOFCB-UHFFFAOYSA-N
Compound name
2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

268.1522 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.159476 162.5
[M+Na]+ 291.141418 165.5
[M-H]- 267.144924 154.9
[M+NH4]+ 286.186023 175.2
[M+K]+ 307.115358 164.2
[M+H-H2O]+ 251.149460 157.8
[M+HCOO]- 313.150401 175.4
[M+CH3COO]- 327.166051 185.1
[M+Na-2H]- 289.126866 166.7
[M]+ 268.15165142 165.2
[M]- 268.15274858 165.2
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

patents stripe