CID 643181

3,4-methylenedioxycinnamic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
InChIKey
QFQYZMGOKIROEC-DUXPYHPUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

1291
Patents

192.04225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 137.3
[M+Na]+ 215.031468 145.5
[M-H]- 191.034974 141.9
[M+NH4]+ 210.076073 156.3
[M+K]+ 231.005408 145.2
[M+H-H2O]+ 175.039510 132.6
[M+HCOO]- 237.040451 157.6
[M+CH3COO]- 251.056101 177.6
[M+Na-2H]- 213.016916 144.2
[M]+ 192.04170142 139.1
[M]- 192.04279858 139.1
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.