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

1453
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

literature stripe

Patent stripe

patents stripe