CID 10997853

94723-93-0

Structural Information

Molecular Formula
C11H12O3
SMILES
CC(=O)OC1=CC=C(C=C1)/C=C/CO
InChI
InChI=1S/C11H12O3/c1-9(13)14-11-6-4-10(5-7-11)3-2-8-12/h2-7,12H,8H2,1H3/b3-2+
InChIKey
MUHNYWKQFOFBRC-NSCUHMNNSA-N
Compound name
[4-[(E)-3-hydroxyprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.7
[M+Na]+ 215.06786 148.2
[M-H]- 191.07136 143.1
[M+NH4]+ 210.11246 159.7
[M+K]+ 231.04180 145.8
[M+H-H2O]+ 175.07590 135.1
[M+HCOO]- 237.07684 163.3
[M+CH3COO]- 251.09249 179.7
[M+Na-2H]- 213.05331 145.5
[M]+ 192.07809 142.0
[M]- 192.07919 142.0
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