CID 5373781

(e)-ethyl 3-(3-methoxyphenyl)acrylate

Structural Information

Molecular Formula
C12H14O3
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)OC
InChI
InChI=1S/C12H14O3/c1-3-15-12(13)8-7-10-5-4-6-11(9-10)14-2/h4-9H,3H2,1-2H3/b8-7+
InChIKey
UPOMPRQKAGEXPN-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

206.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.6
[M+Na]+ 229.08352 157.8
[M+NH4]+ 224.12812 153.1
[M+K]+ 245.05746 151.4
[M-H]- 205.08702 146.8
[M+Na-2H]- 227.06897 151.5
[M]+ 206.09375 147.6
[M]- 206.09485 147.6
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