CID 89761

1-(1h-indol-3-yl)propan-1-one

Structural Information

Molecular Formula
C11H11NO
SMILES
CCC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H11NO/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChIKey
KMVYYLYKRGELJE-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

45
Patents

173.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.6
[M+Na]+ 196.073278 145.1
[M-H]- 172.076784 138.1
[M+NH4]+ 191.117883 157.0
[M+K]+ 212.047218 141.3
[M+H-H2O]+ 156.081320 129.7
[M+HCOO]- 218.082261 158.3
[M+CH3COO]- 232.097911 177.6
[M+Na-2H]- 194.058726 142.0
[M]+ 173.08351142 136.4
[M]- 173.08460858 136.4
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