CID 103728

66818-21-1

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CC2C(CCCC2O)C(C1)O

InChI

InChI=1S/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2

InChIKey

BABJMFGHXVXNKB-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1181
Patents: 170.13068 Da
Monoisotopic Mass: 1.2
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]+	171.137956	137.8
[M+Na]+	193.119898	142.0
[M-H]-	169.123404	138.5
[M+NH4]+	188.164503	157.9
[M+K]+	209.093838	139.4
[M+H-H2O]+	153.127940	132.9
[M+HCOO]-	215.128881	152.0
[M+CH3COO]-	229.144531	174.8
[M+Na-2H]-	191.105346	141.4
[M]+	170.13013142	129.6
[M]-	170.13122858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe