CID 1810731

{[(2r)-oxolan-2-yl]methyl}thiourea

Structural Information

Molecular Formula

C₆H₁₂N₂OS

SMILES

C1C[C@@H](OC1)CNC(=S)N

InChI

InChI=1S/C6H12N2OS/c7-6(10)8-4-5-2-1-3-9-5/h5H,1-4H2,(H3,7,8,10)/t5-/m1/s1

InChIKey

DYYSJNQVLWANCC-RXMQYKEDSA-N

Compound name

[(2R)-oxolan-2-yl]methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 160.06703 Da
Monoisotopic Mass: 0.0
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]+	161.07431	134.8
[M+Na]+	183.05625	141.5
[M+NH4]+	178.10085	143.0
[M+K]+	199.03019	137.3
[M-H]-	159.05975	137.7
[M+Na-2H]-	181.04170	137.2
[M]+	160.06648	136.6
[M]-	160.06758	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe