CID 219146

2-acetyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC(=O)C1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H10O2/c1-7(12)10-6-8-4-2-3-5-9(8)11(10)13/h2-5,10H,6H2,1H3
InChIKey
QUIWSCUJFRGKMD-UHFFFAOYSA-N
Compound name
2-acetyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

174.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 134.6
[M+Na]+ 197.057298 143.7
[M-H]- 173.060804 139.6
[M+NH4]+ 192.101903 158.0
[M+K]+ 213.031238 141.1
[M+H-H2O]+ 157.065340 129.8
[M+HCOO]- 219.066281 157.6
[M+CH3COO]- 233.081931 180.5
[M+Na-2H]- 195.042746 139.0
[M]+ 174.06753142 135.0
[M]- 174.06862858 135.0
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