CID 253117

1-(2,3-dihydro-1h-indol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C10H11NO
SMILES
CC(=O)C1=CC2=C(C=C1)NCC2
InChI
InChI=1S/C10H11NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-3,6,11H,4-5H2,1H3
InChIKey
GYMZRGMAWRJZPV-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-indol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

120
Patents

161.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 133.8
[M+Na]+ 184.073278 141.7
[M-H]- 160.076784 135.7
[M+NH4]+ 179.117883 155.5
[M+K]+ 200.047218 138.5
[M+H-H2O]+ 144.081320 128.1
[M+HCOO]- 206.082261 153.9
[M+CH3COO]- 220.097911 175.2
[M+Na-2H]- 182.058726 138.8
[M]+ 161.08351142 131.3
[M]- 161.08460858 131.3
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.