CID 5385649

3368-15-8

Structural Information

Molecular Formula
C11H12O3
SMILES
C/C(=C\C1=CC=CC=C1OC)/C(=O)O
InChI
InChI=1S/C11H12O3/c1-8(11(12)13)7-9-5-3-4-6-10(9)14-2/h3-7H,1-2H3,(H,12,13)/b8-7+
InChIKey
JKCOQORKEFKVAF-BQYQJAHWSA-N
Compound name
(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

192.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.5
[M+Na]+ 215.06786 147.6
[M-H]- 191.07136 142.9
[M+NH4]+ 210.11246 159.4
[M+K]+ 231.04180 145.7
[M+H-H2O]+ 175.07590 134.9
[M+HCOO]- 237.07684 162.0
[M+CH3COO]- 251.09249 181.2
[M+Na-2H]- 213.05331 144.0
[M]+ 192.07809 141.2
[M]- 192.07919 141.3
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

No patent data available for this compound.