CID 637511

Cinnamaldehyde

Structural Information

Molecular Formula
C9H8O
SMILES
C1=CC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Compound name
(E)-3-phenylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2892
References

120664
Patents

132.05751 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 124.3
[M+Na]+ 155.04673 132.4
[M-H]- 131.05023 128.0
[M+NH4]+ 150.09133 146.2
[M+K]+ 171.02067 130.0
[M+H-H2O]+ 115.05477 119.0
[M+HCOO]- 177.05571 149.6
[M+CH3COO]- 191.07136 171.0
[M+Na-2H]- 153.03218 132.7
[M]+ 132.05696 124.2
[M]- 132.05806 124.2
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