CID 1547873

[(1-cyano-1-methylethyl)amino]thiourea

Structural Information

Molecular Formula

C₅H₁₀N₄S

SMILES

CC(C)(C#N)NNC(=S)N

InChI

InChI=1S/C5H10N4S/c1-5(2,3-6)9-8-4(7)10/h9H,1-2H3,(H3,7,8,10)

InChIKey

ZJQZSFKRWNIUNJ-UHFFFAOYSA-N

Compound name

(2-cyanopropan-2-ylamino)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 158.06262 Da
Monoisotopic Mass: -0.3
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]+	159.06990	141.2
[M+Na]+	181.05184	148.0
[M-H]-	157.05534	141.9
[M+NH4]+	176.09644	159.1
[M+K]+	197.02578	147.8
[M+H-H2O]+	141.05988	129.1
[M+HCOO]-	203.06082	156.0
[M+CH3COO]-	217.07647	195.0
[M+Na-2H]-	179.03729	143.8
[M]+	158.06207	133.7
[M]-	158.06317	133.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.