CID 17804206

1-cyclopropylethane-1-thiol

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC(C1CC1)S

InChI

InChI=1S/C5H10S/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3

InChIKey

QDAOVNWANSCYGD-UHFFFAOYSA-N

Compound name

1-cyclopropylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 102.05032 Da
Monoisotopic Mass: 1.7
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]+	103.057596	114.9
[M+Na]+	125.039538	124.0
[M-H]-	101.043044	120.0
[M+NH4]+	120.084143	133.8
[M+K]+	141.013478	122.9
[M+H-H2O]+	85.047580	109.3
[M+HCOO]-	147.048521	133.2
[M+CH3COO]-	161.064171	171.4
[M+Na-2H]-	123.024986	118.7
[M]+	102.04977142	118.3
[M]-	102.05086858	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe