CID 3261290

4-propoxybenzene-1-carbothioamide

Structural Information

Molecular Formula

C₁₀H₁₃NOS

SMILES

CCCOC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C10H13NOS/c1-2-7-12-9-5-3-8(4-6-9)10(11)13/h3-6H,2,7H2,1H3,(H2,11,13)

InChIKey

LAZWLBJBNOPJQW-UHFFFAOYSA-N

Compound name

4-propoxybenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.0718 Da
Monoisotopic Mass: 3.0
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]+	196.07908	142.1
[M+Na]+	218.06102	153.3
[M+NH4]+	213.10562	150.9
[M+K]+	234.03496	145.0
[M-H]-	194.06452	144.8
[M+Na-2H]-	216.04647	147.9
[M]+	195.07125	144.8
[M]-	195.07235	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe