CID 589081

2-acetylindole

Structural Information

Molecular Formula
C10H9NO
SMILES
CC(=O)C1=CC2=CC=CC=C2N1
InChI
InChI=1S/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
InChIKey
QXJMCSBBTMVSJS-UHFFFAOYSA-N
Compound name
1-(1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

159.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.3
[M+Na]+ 182.05764 144.8
[M+NH4]+ 177.10224 140.3
[M+K]+ 198.03158 140.0
[M-H]- 158.06114 132.8
[M+Na-2H]- 180.04309 138.1
[M]+ 159.06787 133.6
[M]- 159.06897 133.6
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