CID 312894

58161-35-6

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)NC1=CC2=C(C=C1)C(=O)CC2
InChI
InChI=1S/C11H11NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKey
GHUPGGYDRVSZSW-UHFFFAOYSA-N
Compound name
N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

105
Patents

189.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 140.0
[M+Na]+ 212.06820 150.9
[M+NH4]+ 207.11280 148.6
[M+K]+ 228.04214 146.8
[M-H]- 188.07170 142.1
[M+Na-2H]- 210.05365 144.7
[M]+ 189.07843 141.9
[M]- 189.07953 141.9
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