CID 538819

1-acetyl-1,2-dihydro-3h-indol-3-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC(=O)N1CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKey
AUMJJQZNOVOCGY-UHFFFAOYSA-N
Compound name
1-acetyl-2H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

175.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.7
[M+Na]+ 198.05254 144.3
[M-H]- 174.05604 138.4
[M+NH4]+ 193.09714 156.8
[M+K]+ 214.02648 141.9
[M+H-H2O]+ 158.06058 129.0
[M+HCOO]- 220.06152 156.8
[M+CH3COO]- 234.07717 179.4
[M+Na-2H]- 196.03799 139.6
[M]+ 175.06277 135.2
[M]- 175.06387 135.2
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

patents stripe