CID 312894

N1-(1-oxo-2,3-dihydro-1h-inden-5-yl)acetamide

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

111
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 138.8
[M+Na]+ 212.06820 147.0
[M-H]- 188.07170 143.7
[M+NH4]+ 207.11280 161.2
[M+K]+ 228.04214 144.4
[M+H-H2O]+ 172.07624 133.5
[M+HCOO]- 234.07718 162.8
[M+CH3COO]- 248.09283 184.7
[M+Na-2H]- 210.05365 143.6
[M]+ 189.07843 138.3
[M]- 189.07953 138.3
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