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

151
Patents

176.04735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 133.0
[M+Na]+ 199.03657 142.1
[M-H]- 175.04007 139.0
[M+NH4]+ 194.08117 153.6
[M+K]+ 215.01051 141.8
[M+H-H2O]+ 159.04461 128.3
[M+HCOO]- 221.04555 155.8
[M+CH3COO]- 235.06120 177.1
[M+Na-2H]- 197.02202 141.6
[M]+ 176.04680 135.9
[M]- 176.04790 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