CID 5375261

(2e)-3-(4-methoxyphenyl)but-2-enoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C/C(=C\C(=O)O)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+
InChIKey
FUINODAYLGQWJL-BQYQJAHWSA-N
Compound name
(E)-3-(4-methoxyphenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

192.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.5
[M+Na]+ 215.067858 147.6
[M-H]- 191.071364 142.9
[M+NH4]+ 210.112463 159.4
[M+K]+ 231.041798 145.7
[M+H-H2O]+ 175.075900 134.9
[M+HCOO]- 237.076841 162.0
[M+CH3COO]- 251.092491 181.2
[M+Na-2H]- 213.053306 144.0
[M]+ 192.07809142 141.2
[M]- 192.07918858 141.2
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