CID 45092333

156642-19-2

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

CC(C)(C)OC(=O)NCCCC(=S)N

InChI

InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-4-5-7(10)14/h4-6H2,1-3H3,(H2,10,14)(H,11,12)

InChIKey

BQTYLUDDRSTBRV-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-4-sulfanylidenebutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 218.1089 Da
Monoisotopic Mass: 0.7
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]+	219.11618	153.0
[M+Na]+	241.09812	158.5
[M+NH4]+	236.14272	158.7
[M+K]+	257.07206	153.6
[M-H]-	217.10162	151.2
[M+Na-2H]-	239.08357	153.4
[M]+	218.10835	153.2
[M]-	218.10945	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe