CID 11970889

2-(2,2-dimethoxyethyl)-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C8H16O4
SMILES
CC1COC(O1)CC(OC)OC
InChI
InChI=1S/C8H16O4/c1-6-5-11-8(12-6)4-7(9-2)10-3/h6-8H,4-5H2,1-3H3
InChIKey
ZSTBDLRRJVNBQV-UHFFFAOYSA-N
Compound name
2-(2,2-dimethoxyethyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 137.9
[M+Na]+ 199.094078 144.2
[M-H]- 175.097584 142.4
[M+NH4]+ 194.138683 157.3
[M+K]+ 215.068018 147.3
[M+H-H2O]+ 159.102120 133.0
[M+HCOO]- 221.103061 158.6
[M+CH3COO]- 235.118711 179.3
[M+Na-2H]- 197.079526 142.6
[M]+ 176.10431142 142.0
[M]- 176.10540858 142.0
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

patents stripe