CID 381455

Nsc668043

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)NC1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11NO2/c1-7(13)12-10-6-8-4-2-3-5-9(8)11(10)14/h2-5,10H,6H2,1H3,(H,12,13)
InChIKey
BEJSVSMVFQDPJS-UHFFFAOYSA-N
Compound name
N-(3-oxo-1,2-dihydroinden-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.07898 Da
Monoisotopic Mass

1.1
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