CID 8438

Piperonal

Structural Information

Molecular Formula
C8H6O3
SMILES
C1OC2=C(O1)C=C(C=C2)C=O
InChI
InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey
SATCULPHIDQDRE-UHFFFAOYSA-N
Compound name
1,3-benzodioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

114
References

32293
Patents

150.0317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 125.4
[M+Na]+ 173.02092 138.5
[M+NH4]+ 168.06552 134.6
[M+K]+ 188.99486 134.9
[M-H]- 149.02442 129.9
[M+Na-2H]- 171.00637 130.6
[M]+ 150.03115 128.5
[M]- 150.03225 128.5
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