CID 14847864

93983-16-5

Structural Information

Molecular Formula
C13H28O6
SMILES
CCC(CO)(CO)COCOCC(CC)(CO)CO
InChI
InChI=1S/C13H28O6/c1-3-12(5-14,6-15)9-18-11-19-10-13(4-2,7-16)8-17/h14-17H,3-11H2,1-2H3
InChIKey
RUGYGRQBRINGQW-UHFFFAOYSA-N
Compound name
2-[2,2-bis(hydroxymethyl)butoxymethoxymethyl]-2-ethylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

280.1886 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.195876 169.1
[M+Na]+ 303.177818 172.0
[M-H]- 279.181324 162.7
[M+NH4]+ 298.222423 182.3
[M+K]+ 319.151758 170.4
[M+H-H2O]+ 263.185860 164.3
[M+HCOO]- 325.186801 182.7
[M+CH3COO]- 339.202451 191.1
[M+Na-2H]- 301.163266 172.6
[M]+ 280.18805142 173.1
[M]- 280.18914858 173.1
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