CID 23391637

2-[3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propoxy]ethanol

Structural Information

Molecular Formula
C13H28O8
SMILES
C(COCC(COCCO)(COCCO)COCCO)O
InChI
InChI=1S/C13H28O8/c14-1-5-18-9-13(10-19-6-2-15,11-20-7-3-16)12-21-8-4-17/h14-17H,1-12H2
InChIKey
RRQXXKCYECDESZ-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

312.1784 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.185676 171.8
[M+Na]+ 335.167618 173.9
[M-H]- 311.171124 165.0
[M+NH4]+ 330.212223 183.3
[M+K]+ 351.141558 173.1
[M+H-H2O]+ 295.175660 165.6
[M+HCOO]- 357.176601 187.4
[M+CH3COO]- 371.192251 194.8
[M+Na-2H]- 333.153066 174.8
[M]+ 312.17785142 179.2
[M]- 312.17894858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe