CID 106458

1,3-dioxolane-2-ethanol, 2-methyl-, acetate

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(=O)OCCC1(OCCO1)C
InChI
InChI=1S/C8H14O4/c1-7(9)10-4-3-8(2)11-5-6-12-8/h3-6H2,1-2H3
InChIKey
JXLFMIKKQFNHAA-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-dioxolan-2-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 135.6
[M+Na]+ 197.07842 142.2
[M-H]- 173.08192 140.1
[M+NH4]+ 192.12302 156.7
[M+K]+ 213.05236 145.0
[M+H-H2O]+ 157.08646 131.6
[M+HCOO]- 219.08740 156.4
[M+CH3COO]- 233.10305 176.2
[M+Na-2H]- 195.06387 142.3
[M]+ 174.08865 138.8
[M]- 174.08975 138.8
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