CID 19883177

2-methyl-1-propenethiol

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC/C(=C/S)/C

InChI

InChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+

InChIKey

JNZXLHOIKNISCY-SNAWJCMRSA-N

Compound name

(E)-2-methylbut-1-ene-1-thiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 102.05032 Da
Monoisotopic Mass: 2.3
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	118.6
[M+Na]+	125.039538	126.5
[M-H]-	101.043044	119.6
[M+NH4]+	120.084143	142.6
[M+K]+	141.013478	125.6
[M+H-H2O]+	85.047580	114.5
[M+HCOO]-	147.048521	136.4
[M+CH3COO]-	161.064171	167.5
[M+Na-2H]-	123.024986	121.5
[M]+	102.04977142	120.2
[M]-	102.05086858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe