CID 86527

2-acetyl-1-tetralone

Structural Information

Molecular Formula
C12H12O2
SMILES
CC(=O)C1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
InChIKey
BSELJBOMYPMBNL-UHFFFAOYSA-N
Compound name
2-acetyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

655
Patents

188.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.090996 137.7
[M+Na]+ 211.072938 145.3
[M-H]- 187.076444 142.2
[M+NH4]+ 206.117543 158.6
[M+K]+ 227.046878 142.7
[M+H-H2O]+ 171.080980 132.1
[M+HCOO]- 233.081921 158.2
[M+CH3COO]- 247.097571 184.0
[M+Na-2H]- 209.058386 143.1
[M]+ 188.08317142 136.2
[M]- 188.08426858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.