CID 88603

2-(2-hydroxyethoxy)ethyl benzoate

Structural Information

Molecular Formula
C11H14O4
SMILES
C1=CC=C(C=C1)C(=O)OCCOCCO
InChI
InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
DNUPYEDSAQDUSO-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2513
Patents

210.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 145.5
[M+Na]+ 233.078418 151.5
[M-H]- 209.081924 147.3
[M+NH4]+ 228.123023 163.3
[M+K]+ 249.052358 150.2
[M+H-H2O]+ 193.086460 139.1
[M+HCOO]- 255.087401 168.0
[M+CH3COO]- 269.103051 182.1
[M+Na-2H]- 231.063866 150.9
[M]+ 210.08865142 148.6
[M]- 210.08974858 148.6
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