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

115
Patents

161.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.8
[M+Na]+ 184.07328 141.7
[M-H]- 160.07678 135.7
[M+NH4]+ 179.11788 155.5
[M+K]+ 200.04722 138.5
[M+H-H2O]+ 144.08132 128.1
[M+HCOO]- 206.08226 153.9
[M+CH3COO]- 220.09791 175.2
[M+Na-2H]- 182.05873 138.8
[M]+ 161.08351 131.3
[M]- 161.08461 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

literature stripe

Patent stripe

patents stripe