CID 20526581

3-amino-1-[2-(methylsulfanyl)ethyl]thiourea

Structural Information

Molecular Formula

C₄H₁₁N₃S₂

SMILES

CSCCNC(=S)NN

InChI

InChI=1S/C4H11N3S2/c1-9-3-2-6-4(8)7-5/h2-3,5H2,1H3,(H2,6,7,8)

InChIKey

NCUMMMUOIZYPAX-UHFFFAOYSA-N

Compound name

1-amino-3-(2-methylsulfanylethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 165.03944 Da
Monoisotopic Mass: -0.1
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]+	166.04672	130.6
[M+Na]+	188.02866	135.9
[M-H]-	164.03216	129.8
[M+NH4]+	183.07326	150.2
[M+K]+	204.00260	132.0
[M+H-H2O]+	148.03670	124.1
[M+HCOO]-	210.03764	144.2
[M+CH3COO]-	224.05329	182.5
[M+Na-2H]-	186.01411	131.7
[M]+	165.03889	128.5
[M]-	165.03999	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe