CID 12480411

Super cinnamaldehyde

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC(=O)/C=C/1\C2=CC=CC=C2N(C1=O)C
InChI
InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+
InChIKey
CZKBLHCEDVWPRN-JXMROGBWSA-N
Compound name
(3E)-1-methyl-3-(2-oxopropylidene)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1611
References

28
Patents

201.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.2
[M+Na]+ 224.068198 152.1
[M-H]- 200.071704 146.0
[M+NH4]+ 219.112803 163.4
[M+K]+ 240.042138 148.7
[M+H-H2O]+ 184.076240 136.5
[M+HCOO]- 246.077181 163.8
[M+CH3COO]- 260.092831 185.8
[M+Na-2H]- 222.053646 145.3
[M]+ 201.07843142 143.1
[M]- 201.07952858 143.1
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

No patent data available for this compound.