CID 30925

3-acetyl-6,7-dihydro-indol-4(5h)-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(=O)C1=CNC2=C1C(=O)CCC2
InChI
InChI=1S/C10H11NO2/c1-6(12)7-5-11-8-3-2-4-9(13)10(7)8/h5,11H,2-4H2,1H3
InChIKey
DJVGTOGEQZBUAS-UHFFFAOYSA-N
Compound name
3-acetyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.1
[M+Na]+ 200.06820 145.0
[M-H]- 176.07170 138.9
[M+NH4]+ 195.11280 158.1
[M+K]+ 216.04214 141.9
[M+H-H2O]+ 160.07624 131.5
[M+HCOO]- 222.07718 156.0
[M+CH3COO]- 236.09283 177.9
[M+Na-2H]- 198.05365 140.4
[M]+ 177.07843 134.2
[M]- 177.07953 134.2
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

patents stripe