CID 11240662

1(2h)-naphthalenone, 3,4-dihydro-4-hydroxy-, (4s)-

Structural Information

Molecular Formula
C10H10O2
SMILES
C1CC(=O)C2=CC=CC=C2[C@H]1O
InChI
InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKey
BGPJTIXJFAGUIF-VIFPVBQESA-N
Compound name
(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

162.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.3
[M+Na]+ 185.05730 138.4
[M-H]- 161.06080 133.7
[M+NH4]+ 180.10190 151.7
[M+K]+ 201.03124 135.5
[M+H-H2O]+ 145.06534 125.2
[M+HCOO]- 207.06628 150.7
[M+CH3COO]- 221.08193 175.3
[M+Na-2H]- 183.04275 137.6
[M]+ 162.06753 127.6
[M]- 162.06863 127.6
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