CID 2753159

(e)-2-phenylpropenyl acetate

Structural Information

Molecular Formula
C11H12O2
SMILES
C/C(=C\OC(=O)C)/C1=CC=CC=C1
InChI
InChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey
CLCGEEANBAUENX-CMDGGOBGSA-N
Compound name
[(E)-2-phenylprop-1-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

58
Patents

176.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 137.7
[M+Na]+ 199.07294 144.5
[M-H]- 175.07644 141.3
[M+NH4]+ 194.11754 157.8
[M+K]+ 215.04688 143.0
[M+H-H2O]+ 159.08098 132.0
[M+HCOO]- 221.08192 160.6
[M+CH3COO]- 235.09757 180.0
[M+Na-2H]- 197.05839 142.5
[M]+ 176.08317 138.5
[M]- 176.08427 138.5
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