CID 6069153

2-propenal, 3-(2-(acetyloxy)phenyl)-

Structural Information

Molecular Formula
C11H10O3
SMILES
CC(=O)OC1=CC=CC=C1/C=C/C=O
InChI
InChI=1S/C11H10O3/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12/h2-8H,1H3/b6-4+
InChIKey
JOWKJFRQPYWIMS-GQCTYLIASA-N
Compound name
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.06299 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe