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

13
Patents

164.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.0
[M+Na]+ 187.07294 139.1
[M-H]- 163.07644 135.0
[M+NH4]+ 182.11754 153.2
[M+K]+ 203.04688 136.3
[M+H-H2O]+ 147.08098 126.9
[M+HCOO]- 209.08192 151.0
[M+CH3COO]- 223.09757 175.7
[M+Na-2H]- 185.05839 138.3
[M]+ 164.08317 127.9
[M]- 164.08427 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