CID 129977894

(4,4-dimethoxyoxan-3-yl)methanol

Structural Information

Molecular Formula
C8H16O4
SMILES
COC1(CCOCC1CO)OC
InChI
InChI=1S/C8H16O4/c1-10-8(11-2)3-4-12-6-7(8)5-9/h7,9H,3-6H2,1-2H3
InChIKey
WGMZWYJEYCNCKJ-UHFFFAOYSA-N
Compound name
(4,4-dimethoxyoxan-3-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]+ 177.112136 136.3
[M+Na]+ 199.094078 142.4
[M-H]- 175.097584 138.9
[M+NH4]+ 194.138683 156.5
[M+K]+ 215.068018 143.8
[M+H-H2O]+ 159.102120 131.7
[M+HCOO]- 221.103061 155.3
[M+CH3COO]- 235.118711 175.6
[M+Na-2H]- 197.079526 143.3
[M]+ 176.10431142 136.9
[M]- 176.10540858 136.9
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.