CID 63965554

[2-(methylsulfanyl)ethyl]thiourea

Structural Information

Molecular Formula

C₄H₁₀N₂S₂

SMILES

CSCCNC(=S)N

InChI

InChI=1S/C4H10N2S2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)

InChIKey

YLBZNJCGDSHOIG-UHFFFAOYSA-N

Compound name

2-methylsulfanylethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.02853 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]+	151.03581	127.7
[M+Na]+	173.01775	133.8
[M-H]-	149.02125	127.1
[M+NH4]+	168.06235	148.3
[M+K]+	188.99169	130.2
[M+H-H2O]+	133.02579	121.8
[M+HCOO]-	195.02673	140.5
[M+CH3COO]-	209.04238	178.2
[M+Na-2H]-	171.00320	128.2
[M]+	150.02798	126.6
[M]-	150.02908	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe