CID 92345

4-(1-hydroxyethyl)phenyl acetate

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C1=CC=C(C=C1)OC(=O)C)O
InChI
InChI=1S/C10H12O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7,11H,1-2H3
InChIKey
VZOVSXXHXIMTQX-UHFFFAOYSA-N
Compound name
[4-(1-hydroxyethyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

148
Patents

180.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.9
[M+Na]+ 203.06786 149.5
[M+NH4]+ 198.11246 145.4
[M+K]+ 219.04180 144.8
[M-H]- 179.07136 138.6
[M+Na-2H]- 201.05331 143.4
[M]+ 180.07809 139.5
[M]- 180.07919 139.5
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