CID 1991424

59953-93-4

Structural Information

Molecular Formula
C12H12O3
SMILES
C=CCOC1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C12H12O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-5+
InChIKey
BDQXWLNXUBMIEG-VMPITWQZSA-N
Compound name
(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

204.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.7
[M+Na]+ 227.06786 150.9
[M-H]- 203.07136 145.8
[M+NH4]+ 222.11246 162.0
[M+K]+ 243.04180 147.6
[M+H-H2O]+ 187.07590 137.9
[M+HCOO]- 249.07684 166.1
[M+CH3COO]- 263.09249 182.5
[M+Na-2H]- 225.05331 147.9
[M]+ 204.07809 144.7
[M]- 204.07919 144.7
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