CID 10219643

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

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC(=O)C1=CC2=C(C=C1)NC(=O)C2
InChI
InChI=1S/C10H9NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-4H,5H2,1H3,(H,11,13)
InChIKey
HRMQSJQDTTZJPC-UHFFFAOYSA-N
Compound name
5-acetyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

175.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 135.3
[M+Na]+ 198.052538 144.3
[M-H]- 174.056044 137.5
[M+NH4]+ 193.097143 156.5
[M+K]+ 214.026478 141.0
[M+H-H2O]+ 158.060580 129.8
[M+HCOO]- 220.061521 155.8
[M+CH3COO]- 234.077171 177.5
[M+Na-2H]- 196.037986 139.6
[M]+ 175.06277142 133.9
[M]- 175.06386858 133.9
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

patents stripe