CID 12480412

Supercinnamaldehyde

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-YFHOEESVSA-N
Compound name
(3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1610
References

4
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

literature stripe

Patent stripe

patents stripe