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
2
Annotation Hits

1558
References

36
Patents

201.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 144.0
[M+Na]+ 224.06820 156.1
[M+NH4]+ 219.11280 151.8
[M+K]+ 240.04214 151.7
[M-H]- 200.07170 144.7
[M+Na-2H]- 222.05365 147.9
[M]+ 201.07843 145.7
[M]- 201.07953 145.7
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