CID 3023231

93983-19-8

Structural Information

Molecular Formula
C12H26O5
SMILES
CCC(CO)COCOCC(CC)(CO)CO
InChI
InChI=1S/C12H26O5/c1-3-11(5-13)6-16-10-17-9-12(4-2,7-14)8-15/h11,13-15H,3-10H2,1-2H3
InChIKey
YGMXBWACXMHPQU-UHFFFAOYSA-N
Compound name
2-ethyl-2-[2-(hydroxymethyl)butoxymethoxymethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.17802 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.185296 162.5
[M+Na]+ 273.167238 165.8
[M-H]- 249.170744 157.5
[M+NH4]+ 268.211843 177.6
[M+K]+ 289.141178 164.7
[M+H-H2O]+ 233.175280 157.3
[M+HCOO]- 295.176221 178.4
[M+CH3COO]- 309.191871 188.7
[M+Na-2H]- 271.152686 164.5
[M]+ 250.17747142 166.4
[M]- 250.17856858 166.4
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.