CID 9548021

Cis-1,2-dihydroxy-1,2,5,6,7,8-hexahydronaphthalene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CCC2=C(C1)C=C[C@@H]([C@@H]2O)O

InChI

InChI=1S/C10H14O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,9-12H,1-4H2/t9-,10+/m0/s1

InChIKey

SJTWZMBCBWJGRE-VHSXEESVSA-N

Compound name

(1R,2S)-1,2,5,6,7,8-hexahydronaphthalene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 0.4
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]+	167.106656	134.0
[M+Na]+	189.088598	140.3
[M-H]-	165.092104	135.5
[M+NH4]+	184.133203	154.5
[M+K]+	205.062538	137.3
[M+H-H2O]+	149.096640	129.1
[M+HCOO]-	211.097581	151.2
[M+CH3COO]-	225.113231	174.0
[M+Na-2H]-	187.074046	139.7
[M]+	166.09883142	128.7
[M]-	166.09992858	128.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.