CID 21881827

59802-10-7

Structural Information

Molecular Formula
C11H22O4
SMILES
CCC1(COC(OC1)C(C)(C)CO)CO
InChI
InChI=1S/C11H22O4/c1-4-11(6-13)7-14-9(15-8-11)10(2,3)5-12/h9,12-13H,4-8H2,1-3H3
InChIKey
HXEWWQYSYQOUSD-UHFFFAOYSA-N
Compound name
2-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1251
Patents

218.15181 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15909 150.4
[M+Na]+ 241.14103 155.2
[M-H]- 217.14453 151.9
[M+NH4]+ 236.18563 167.0
[M+K]+ 257.11497 156.4
[M+H-H2O]+ 201.14907 146.2
[M+HCOO]- 263.15001 164.4
[M+CH3COO]- 277.16566 182.8
[M+Na-2H]- 239.12648 157.3
[M]+ 218.15126 150.4
[M]- 218.15236 150.4
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.