CID 15415399

Ethyl 2-hydroxy-2-(oxolan-3-yl)acetate

Structural Information

Molecular Formula
C8H14O4
SMILES
CCOC(=O)C(C1CCOC1)O
InChI
InChI=1S/C8H14O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h6-7,9H,2-5H2,1H3
InChIKey
ZLHNHDYYRVHBSP-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(oxolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 138.3
[M+Na]+ 197.078418 143.2
[M-H]- 173.081924 140.5
[M+NH4]+ 192.123023 157.9
[M+K]+ 213.052358 144.5
[M+H-H2O]+ 157.086460 133.3
[M+HCOO]- 219.087401 157.6
[M+CH3COO]- 233.103051 174.8
[M+Na-2H]- 195.063866 140.9
[M]+ 174.08865142 138.1
[M]- 174.08974858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.