CID 102425

Decahydro-1-naphthol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C1CCC2C(C1)CCCC2O

InChI

InChI=1S/C10H18O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2

InChIKey

NDZOISQLWLWLEW-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 993
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.143046	134.5
[M+Na]+	177.124988	138.1
[M-H]-	153.128494	136.2
[M+NH4]+	172.169593	155.6
[M+K]+	193.098928	135.9
[M+H-H2O]+	137.133030	129.1
[M+HCOO]-	199.133971	150.0
[M+CH3COO]-	213.149621	174.1
[M+Na-2H]-	175.110436	139.1
[M]+	154.13522142	126.2
[M]-	154.13631858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe