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]+ 177.11214 136.3
[M+Na]+ 199.09408 142.4
[M-H]- 175.09758 138.9
[M+NH4]+ 194.13868 156.5
[M+K]+ 215.06802 143.8
[M+H-H2O]+ 159.10212 131.7
[M+HCOO]- 221.10306 155.3
[M+CH3COO]- 235.11871 175.6
[M+Na-2H]- 197.07953 143.3
[M]+ 176.10431 136.9
[M]- 176.10541 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.