CID 5355018

3-(3,4-methylenedioxyphenyl)propenal

Structural Information

Molecular Formula
C10H8O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C\C=O
InChI
InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1-
InChIKey
HZUFMSJUNLSDSZ-UPHRSURJSA-N
Compound name
(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

154
Patents

176.04735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 133.0
[M+Na]+ 199.036568 142.1
[M-H]- 175.040074 139.0
[M+NH4]+ 194.081173 153.6
[M+K]+ 215.010508 141.8
[M+H-H2O]+ 159.044610 128.3
[M+HCOO]- 221.045551 155.8
[M+CH3COO]- 235.061201 177.1
[M+Na-2H]- 197.022016 141.6
[M]+ 176.04680142 135.9
[M]- 176.04789858 135.9
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

patents stripe