CID 12187661

442536-99-4

Structural Information

Molecular Formula
C12H14O5
SMILES
C1=CC=C(C=C1)C(=O)C(=O)OCCOCCO
InChI
InChI=1S/C12H14O5/c13-6-7-16-8-9-17-12(15)11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKey
RQGSZGCFMVGVJR-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl 2-oxo-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1346
Patents

238.08412 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 152.4
[M+Na]+ 261.07334 162.2
[M+NH4]+ 256.11794 158.0
[M+K]+ 277.04728 157.8
[M-H]- 237.07684 151.6
[M+Na-2H]- 259.05879 156.5
[M]+ 238.08357 153.1
[M]- 238.08467 153.1
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

patents stripe