CID 5372859

3-(2-(acetyloxy)phenyl)-2-propenoic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
CC(=O)OC1=CC=CC=C1/C=C/C(=O)O
InChI
InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey
UXOWQQCLBQBRMQ-VOTSOKGWSA-N
Compound name
(E)-3-(2-acetyloxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

206.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.2
[M+Na]+ 229.04712 149.6
[M-H]- 205.05062 144.7
[M+NH4]+ 224.09172 160.4
[M+K]+ 245.02106 147.6
[M+H-H2O]+ 189.05516 136.5
[M+HCOO]- 251.05610 164.2
[M+CH3COO]- 265.07175 181.8
[M+Na-2H]- 227.03257 145.8
[M]+ 206.05735 143.6
[M]- 206.05845 143.6
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