CID 11137923

4-acetoxy cinnamaldehyde

Structural Information

Molecular Formula
C11H10O3
SMILES
CC(=O)OC1=CC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C11H10O3/c1-9(13)14-11-6-4-10(5-7-11)3-2-8-12/h2-8H,1H3/b3-2+
InChIKey
CDQCYVXBXRQUOL-NSCUHMNNSA-N
Compound name
[4-[(E)-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.3
[M+Na]+ 213.052208 146.6
[M-H]- 189.055714 142.2
[M+NH4]+ 208.096813 158.1
[M+K]+ 229.026148 144.5
[M+H-H2O]+ 173.060250 132.6
[M+HCOO]- 235.061191 162.7
[M+CH3COO]- 249.076841 181.4
[M+Na-2H]- 211.037656 143.7
[M]+ 190.06244142 140.9
[M]- 190.06353858 140.9
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