CID 12761700

3-(2-methoxyethyl)-1-methylthiourea

Structural Information

Molecular Formula

C₅H₁₂N₂OS

SMILES

CNC(=S)NCCOC

InChI

InChI=1S/C5H12N2OS/c1-6-5(9)7-3-4-8-2/h3-4H2,1-2H3,(H2,6,7,9)

InChIKey

SXKORBPTPJTBJG-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)-3-methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	149.074306	130.9
[M+Na]+	171.056248	136.8
[M-H]-	147.059754	131.3
[M+NH4]+	166.100853	152.1
[M+K]+	187.030188	135.7
[M+H-H2O]+	131.064290	125.2
[M+HCOO]-	193.065231	150.7
[M+CH3COO]-	207.080881	178.2
[M+Na-2H]-	169.041696	134.2
[M]+	148.06648142	132.0
[M]-	148.06757858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe