CID 5376274

24393-66-6

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC(=O)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C12H12O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,2,8H2,1H3/b6-4+
InChIKey
PTMOFMXIIKUMTA-GQCTYLIASA-N
Compound name
ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

220.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 146.6
[M+Na]+ 243.06278 154.5
[M-H]- 219.06628 152.3
[M+NH4]+ 238.10738 165.2
[M+K]+ 259.03672 154.6
[M+H-H2O]+ 203.07082 141.4
[M+HCOO]- 265.07176 167.8
[M+CH3COO]- 279.08741 185.5
[M+Na-2H]- 241.04823 152.9
[M]+ 220.07301 150.9
[M]- 220.07411 150.9
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.