CID 5274448

5-acetyl-1-methyl-6,7-dihydro-5h-indol-4-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(=O)C1CCC2=C(C1=O)C=CN2C
InChI
InChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(11(8)14)5-6-12(10)2/h5-6,8H,3-4H2,1-2H3
InChIKey
RUANHZRKJZGKSY-UHFFFAOYSA-N
Compound name
5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.4
[M+Na]+ 214.08386 149.3
[M-H]- 190.08736 143.8
[M+NH4]+ 209.12846 161.9
[M+K]+ 230.05780 146.8
[M+H-H2O]+ 174.09190 134.7
[M+HCOO]- 236.09284 160.5
[M+CH3COO]- 250.10849 184.7
[M+Na-2H]- 212.06931 143.0
[M]+ 191.09409 140.2
[M]- 191.09519 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

literature stripe

Patent stripe

No patent data available for this compound.