CID 1551043

Trans-3,4-(methylenedioxy)cinnamic 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-RQOWECAXSA-N
Compound name
(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

822
Patents

192.04225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 138.0
[M+Na]+ 215.03147 149.3
[M+NH4]+ 210.07607 145.5
[M+K]+ 231.00541 146.8
[M-H]- 191.03497 140.9
[M+Na-2H]- 213.01692 141.0
[M]+ 192.04170 140.2
[M]- 192.04280 140.2
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

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