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: 549
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	112.3
[M+Na]+	125.03954	118.0
[M-H]-	101.04304	116.0
[M+NH4]+	120.08414	129.5
[M+K]+	141.01348	120.3
[M+H-H2O]+	85.047580	102.4
[M+HCOO]-	147.04852	129.4
[M+CH3COO]-	161.06417	170.1
[M+Na-2H]-	123.02499	116.4
[M]+	102.04977	121.0
[M]-	102.05087	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe