CID 21917007

Cyclobutylmethanethiol

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

C1CC(C1)CS

InChI

InChI=1S/C5H10S/c6-4-5-2-1-3-5/h5-6H,1-4H2

InChIKey

BSEUUPXORXVBTB-UHFFFAOYSA-N

Compound name

cyclobutylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 306
Patents: 102.05032 Da
Monoisotopic Mass: 1.8
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]+	103.05760	112.0
[M+Na]+	125.03954	118.7
[M+NH4]+	120.08414	118.6
[M+K]+	141.01348	113.0
[M-H]-	101.04304	111.8
[M+Na-2H]-	123.02499	115.6
[M]+	102.04977	112.2
[M]-	102.05087	112.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe