CID 2774094

3-methoxypropylthiourea

Structural Information

Molecular Formula

C₅H₁₂N₂OS

SMILES

COCCCNC(=S)N

InChI

InChI=1S/C5H12N2OS/c1-8-4-2-3-7-5(6)9/h2-4H2,1H3,(H3,6,7,9)

InChIKey

FDWYDCXQLVOMPE-UHFFFAOYSA-N

Compound name

3-methoxypropylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 148.06703 Da
Monoisotopic Mass: -0.2
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]+	149.07431	131.4
[M+Na]+	171.05625	138.7
[M+NH4]+	166.10085	139.0
[M+K]+	187.03019	132.4
[M-H]-	147.05975	131.5
[M+Na-2H]-	169.04170	133.8
[M]+	148.06648	132.5
[M]-	148.06758	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe