CID 5355436

70570-20-6

Structural Information

Molecular Formula
C12H14O4
SMILES
C/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)O
InChI
InChI=1S/C12H14O4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3,(H,13,14)/b8-6+
InChIKey
HWFGFNBLIMJWLY-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.2
[M+Na]+ 245.07842 154.7
[M-H]- 221.08192 149.8
[M+NH4]+ 240.12302 165.0
[M+K]+ 261.05236 153.2
[M+H-H2O]+ 205.08646 141.4
[M+HCOO]- 267.08740 168.6
[M+CH3COO]- 281.10305 187.6
[M+Na-2H]- 243.06387 149.6
[M]+ 222.08865 150.1
[M]- 222.08975 150.1
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