CID 22934846

183606-83-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₅S

SMILES

CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1=O

InChI

InChI=1S/C10H17NO5S/c1-10(2,3)16-9(13)11-7-4-5-17(14,15)6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)

InChIKey

RJQRXKCRDWVGBQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,1,3-trioxothian-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 263.08273 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]+	264.09001	157.5
[M+Na]+	286.07195	164.3
[M+NH4]+	281.11655	164.1
[M+K]+	302.04589	158.1
[M-H]-	262.07545	156.0
[M+Na-2H]-	284.05740	160.5
[M]+	263.08218	158.2
[M]-	263.08328	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe