CID 440294

(1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene

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-VHSXEESVSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 51
References: 526
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]+	163.075356	130.6
[M+Na]+	185.057298	139.0
[M-H]-	161.060804	132.9
[M+NH4]+	180.101903	151.4
[M+K]+	201.031238	135.6
[M+H-H2O]+	145.065340	125.6
[M+HCOO]-	207.066281	150.8
[M+CH3COO]-	221.081931	173.2
[M+Na-2H]-	183.042746	138.3
[M]+	162.06753142	128.2
[M]-	162.06862858	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe