CID 146049047

(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol

Structural Information

Molecular Formula
C8H16O4
SMILES
CC1(OCC(CO1)(CO)OC)C
InChI
InChI=1S/C8H16O4/c1-7(2)11-5-8(4-9,10-3)6-12-7/h9H,4-6H2,1-3H3
InChIKey
UQULEYCNVVOIRZ-UHFFFAOYSA-N
Compound name
(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 134.5
[M+Na]+ 199.09408 141.6
[M-H]- 175.09758 138.2
[M+NH4]+ 194.13868 155.5
[M+K]+ 215.06802 144.3
[M+H-H2O]+ 159.10212 131.0
[M+HCOO]- 221.10306 152.6
[M+CH3COO]- 235.11871 175.6
[M+Na-2H]- 197.07953 143.9
[M]+ 176.10431 136.2
[M]- 176.10541 136.2
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.