CID 15864441

62995-09-9

Structural Information

Molecular Formula

C₇H₁₅NO₃S

SMILES

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

InChI

InChI=1S/C7H15NO3S/c1-7(2,3)11-6(9)8-12(4,5)10/h1-5H3

InChIKey

ZTINABKGODDUGY-UHFFFAOYSA-N

Compound name

tert-butyl N-[dimethyl(oxo)-lambda6-sulfanylidene]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 193.07727 Da
Monoisotopic Mass: 1.6
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]+	194.08455	140.8
[M+Na]+	216.06649	148.5
[M-H]-	192.06999	143.0
[M+NH4]+	211.11109	161.5
[M+K]+	232.04043	148.5
[M+H-H2O]+	176.07453	136.1
[M+HCOO]-	238.07547	158.5
[M+CH3COO]-	252.09112	183.6
[M+Na-2H]-	214.05194	145.2
[M]+	193.07672	145.8
[M]-	193.07782	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe