CID 92345

4-acetoxyphenyl methyl carbinol

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
3
Annotation Hits

0
References

160
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 137.3
[M+Na]+ 203.06786 144.5
[M-H]- 179.07136 139.9
[M+NH4]+ 198.11246 156.7
[M+K]+ 219.04180 143.5
[M+H-H2O]+ 163.07590 131.8
[M+HCOO]- 225.07684 158.9
[M+CH3COO]- 239.09249 179.1
[M+Na-2H]- 201.05331 141.3
[M]+ 180.07809 138.3
[M]- 180.07919 138.3
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