CID 21118149

Schembl6848903

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C1(OCCO1)C)OC(=O)C
InChI
InChI=1S/C8H14O4/c1-6(12-7(2)9)8(3)10-4-5-11-8/h6H,4-5H2,1-3H3
InChIKey
WLYFEPOSQMYULX-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,3-dioxolan-2-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

174.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.1
[M+Na]+ 197.078418 142.4
[M-H]- 173.081924 140.7
[M+NH4]+ 192.123023 157.2
[M+K]+ 213.052358 145.7
[M+H-H2O]+ 157.086460 132.2
[M+HCOO]- 219.087401 155.9
[M+CH3COO]- 233.103051 177.1
[M+Na-2H]- 195.063866 141.5
[M]+ 174.08865142 138.7
[M]- 174.08974858 138.7
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