CID 361323

Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(OCC(O1)CC(=O)OC)C
InChI
InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3
InChIKey
AEMMCWMMNLSHFT-UHFFFAOYSA-N
Compound name
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

174.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 134.4
[M+Na]+ 197.07842 142.0
[M-H]- 173.08192 139.3
[M+NH4]+ 192.12302 155.9
[M+K]+ 213.05236 144.8
[M+H-H2O]+ 157.08646 130.8
[M+HCOO]- 219.08740 155.3
[M+CH3COO]- 233.10305 177.4
[M+Na-2H]- 195.06387 140.6
[M]+ 174.08865 138.1
[M]- 174.08975 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe