CID 130528925

Dicyclobutylmethanethiol

Structural Information

Molecular Formula

C₉H₁₆S

SMILES

C1CC(C1)C(C2CCC2)S

InChI

InChI=1S/C9H16S/c10-9(7-3-1-4-7)8-5-2-6-8/h7-10H,1-6H2

InChIKey

HCUPDXFKUQQLMM-UHFFFAOYSA-N

Compound name

di(cyclobutyl)methanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.09727 Da
Monoisotopic Mass: 3.2
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]+	157.10455	127.7
[M+Na]+	179.08649	128.6
[M+NH4]+	174.13109	129.8
[M+K]+	195.06043	125.9
[M-H]-	155.08999	125.9
[M+Na-2H]-	177.07194	128.7
[M]+	156.09672	125.5
[M]-	156.09782	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.