CID 12229721

7-hydroxy-2,3,4,4a,5,6-hexahydronaphthalen-2-one

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC(=CC2=CC(=O)CCC21)O
InChI
InChI=1S/C10H12O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h5-7,11H,1-4H2
InChIKey
LWNFFISCITYFKK-UHFFFAOYSA-N
Compound name
7-hydroxy-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.0
[M+Na]+ 187.072938 139.1
[M-H]- 163.076444 135.0
[M+NH4]+ 182.117543 153.2
[M+K]+ 203.046878 136.3
[M+H-H2O]+ 147.080980 126.9
[M+HCOO]- 209.081921 151.0
[M+CH3COO]- 223.097571 175.7
[M+Na-2H]- 185.058386 138.3
[M]+ 164.08317142 127.9
[M]- 164.08426858 127.9
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

patents stripe