CID 14081165

1049806-71-4

Structural Information

Molecular Formula

C₁₁H₂₀OS

SMILES

CC1(C2CCC1(C(C2SC)O)C)C

InChI

InChI=1S/C11H20OS/c1-10(2)7-5-6-11(10,3)9(12)8(7)13-4/h7-9,12H,5-6H2,1-4H3

InChIKey

FTSZDJKYAIMZNI-UHFFFAOYSA-N

Compound name

1,7,7-trimethyl-3-methylsulfanylbicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.12349 Da
Monoisotopic Mass: 2.7
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]+	201.13077	144.4
[M+Na]+	223.11271	154.1
[M-H]-	199.11621	146.7
[M+NH4]+	218.15731	173.6
[M+K]+	239.08665	151.1
[M+H-H2O]+	183.12075	143.1
[M+HCOO]-	245.12169	158.6
[M+CH3COO]-	259.13734	183.5
[M+Na-2H]-	221.09816	145.9
[M]+	200.12294	147.3
[M]-	200.12404	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.