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]+ 177.090996 137.7
[M+Na]+ 199.072938 144.5
[M-H]- 175.076444 141.3
[M+NH4]+ 194.117543 157.8
[M+K]+ 215.046878 143.0
[M+H-H2O]+ 159.080980 132.0
[M+HCOO]- 221.081921 160.6
[M+CH3COO]- 235.097571 180.0
[M+Na-2H]- 197.058386 142.5
[M]+ 176.08317142 138.5
[M]- 176.08426858 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