CID 13770534

1-(1h-indol-7-yl)ethanone

Structural Information

Molecular Formula
C10H9NO
SMILES
CC(=O)C1=CC=CC2=C1NC=C2
InChI
InChI=1S/C10H9NO/c1-7(12)9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3
InChIKey
BJFCCDMOVSQLQF-UHFFFAOYSA-N
Compound name
1-(1H-indol-7-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

159.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.8
[M+Na]+ 182.057638 140.8
[M-H]- 158.061144 133.5
[M+NH4]+ 177.102243 152.8
[M+K]+ 198.031578 137.2
[M+H-H2O]+ 142.065680 125.1
[M+HCOO]- 204.066621 153.9
[M+CH3COO]- 218.082271 174.6
[M+Na-2H]- 180.043086 137.8
[M]+ 159.06787142 131.3
[M]- 159.06896858 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

patents stripe