CID 52373

Ketone, indol-1-yl ethyl

Structural Information

Molecular Formula
C11H11NO
SMILES
CCC(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKey
XBYKGSPCVQTMGF-UHFFFAOYSA-N
Compound name
1-indol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

173.08406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.5
[M+Na]+ 196.07328 149.4
[M+NH4]+ 191.11788 144.7
[M+K]+ 212.04722 144.0
[M-H]- 172.07678 137.5
[M+Na-2H]- 194.05873 142.7
[M]+ 173.08351 138.0
[M]- 173.08461 138.0
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