CID 114831

(1s,2s)-1,2-dihydronaphthalene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1=CC=C2[C@@H]([C@H](C=CC2=C1)O)O

InChI

InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10-/m0/s1

InChIKey

QPUHWUSUBHNZCG-UWVGGRQHSA-N

Compound name

(1S,2S)-1,2-dihydronaphthalene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 51
References: 441
Patents: 162.06808 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.07536	131.0
[M+Na]+	185.05730	144.7
[M+NH4]+	180.10190	140.6
[M+K]+	201.03124	138.0
[M-H]-	161.06080	133.6
[M+Na-2H]-	183.04275	137.8
[M]+	162.06753	133.7
[M]-	162.06863	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe