CID 21187487

2-cyclopropylethane-1-thiol

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

C1CC1CCS

InChI

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

InChIKey

GDAJGCSABQAVRD-UHFFFAOYSA-N

Compound name

2-cyclopropylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 102.05032 Da
Monoisotopic Mass: 2.0
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	115.2
[M+Na]+	125.03954	124.7
[M-H]-	101.04304	120.3
[M+NH4]+	120.08414	134.2
[M+K]+	141.01348	123.2
[M+H-H2O]+	85.047580	109.5
[M+HCOO]-	147.04852	134.5
[M+CH3COO]-	161.06417	170.7
[M+Na-2H]-	123.02499	120.1
[M]+	102.04977	119.2
[M]-	102.05087	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe