CID 155387648

25723-16-4

Structural Information

Molecular Formula
C14H30O6
SMILES
CC(COCC(C)(COCC(C)O)COCC(C)O)O
InChI
InChI=1S/C14H30O6/c1-11(15)5-18-8-14(4,9-19-6-12(2)16)10-20-7-13(3)17/h11-13,15-17H,5-10H2,1-4H3
InChIKey
IWHUHZFFDYKBQM-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-2-methylpropoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

294.20422 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21150 173.7
[M+Na]+ 317.19344 175.7
[M-H]- 293.19694 168.5
[M+NH4]+ 312.23804 186.8
[M+K]+ 333.16738 175.8
[M+H-H2O]+ 277.20148 168.2
[M+HCOO]- 339.20242 187.2
[M+CH3COO]- 353.21807 198.5
[M+Na-2H]- 315.17889 172.5
[M]+ 294.20367 178.6
[M]- 294.20477 178.6
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

No patent data available for this compound.