CID 82404754

1,3-dimethyl-2-oxo-2,3-dihydro-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1C2=C(C=CC(=C2)C=O)N(C1=O)C
InChI
InChI=1S/C11H11NO2/c1-7-9-5-8(6-13)3-4-10(9)12(2)11(7)14/h3-7H,1-2H3
InChIKey
FMAPKKKFOYYADG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxo-3H-indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.9
[M+Na]+ 212.06820 149.1
[M-H]- 188.07170 142.1
[M+NH4]+ 207.11280 160.0
[M+K]+ 228.04214 146.0
[M+H-H2O]+ 172.07624 132.4
[M+HCOO]- 234.07718 160.6
[M+CH3COO]- 248.09283 184.7
[M+Na-2H]- 210.05365 142.1
[M]+ 189.07843 140.2
[M]- 189.07953 140.2
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.