CID 121597523

3-(trimethoxymethyl)oxolane

Structural Information

Molecular Formula
C8H16O4
SMILES
COC(C1CCOC1)(OC)OC
InChI
InChI=1S/C8H16O4/c1-9-8(10-2,11-3)7-4-5-12-6-7/h7H,4-6H2,1-3H3
InChIKey
IKGXRAAKNSYZLX-UHFFFAOYSA-N
Compound name
3-(trimethoxymethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 136.9
[M+Na]+ 199.09408 142.8
[M-H]- 175.09758 140.6
[M+NH4]+ 194.13868 157.4
[M+K]+ 215.06802 145.2
[M+H-H2O]+ 159.10212 132.2
[M+HCOO]- 221.10306 158.0
[M+CH3COO]- 235.11871 177.5
[M+Na-2H]- 197.07953 143.5
[M]+ 176.10431 140.2
[M]- 176.10541 140.2
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.