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

461
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

literature stripe

Patent stripe

patents stripe