CID 1715210

Piperonylidene propionaldehyde

Structural Information

Molecular Formula
C11H10O3
SMILES
C/C(=C\C1=CC2=C(C=C1)OCO2)/C=O
InChI
InChI=1S/C11H10O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-6H,7H2,1H3/b8-4+
InChIKey
VLNPUVFEUOBXDK-XBXARRHUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

190.06299 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.7
[M+Na]+ 213.052208 147.1
[M-H]- 189.055714 144.6
[M+NH4]+ 208.096813 158.6
[M+K]+ 229.026148 146.9
[M+H-H2O]+ 173.060250 133.9
[M+HCOO]- 235.061191 160.1
[M+CH3COO]- 249.076841 181.0
[M+Na-2H]- 211.037656 145.5
[M]+ 190.06244142 141.3
[M]- 190.06353858 141.3
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

patents stripe