CID 3042769

60546-78-3

Structural Information

Molecular Formula

C₆H₁₀N₂O₂S

SMILES

CN1CCN(C1=S)C(=O)OC

InChI

InChI=1S/C6H10N2O2S/c1-7-3-4-8(5(7)11)6(9)10-2/h3-4H2,1-2H3

InChIKey

NFPZHZGUNNVRQE-UHFFFAOYSA-N

Compound name

methyl 3-methyl-2-sulfanylideneimidazolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.0463 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]+	175.053576	136.0
[M+Na]+	197.035518	145.1
[M-H]-	173.039024	137.5
[M+NH4]+	192.080123	156.4
[M+K]+	213.009458	144.0
[M+H-H2O]+	157.043560	130.1
[M+HCOO]-	219.044501	151.4
[M+CH3COO]-	233.060151	176.4
[M+Na-2H]-	195.020966	135.3
[M]+	174.04575142	137.5
[M]-	174.04684858	137.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.