CID 68470

1-acetylindole

Structural Information

Molecular Formula
C10H9NO
SMILES
CC(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey
UUCUQJHYUPXDHN-UHFFFAOYSA-N
Compound name
1-indol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

251
Patents

159.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.4
[M+Na]+ 182.05764 140.9
[M-H]- 158.06114 134.5
[M+NH4]+ 177.10224 153.2
[M+K]+ 198.03158 138.3
[M+H-H2O]+ 142.06568 124.5
[M+HCOO]- 204.06662 155.0
[M+CH3COO]- 218.08227 176.6
[M+Na-2H]- 180.04309 137.9
[M]+ 159.06787 132.7
[M]- 159.06897 132.7
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