CID 131585805

2219353-45-2

Structural Information

Molecular Formula

C₉H₁₆ClNO₄S

SMILES

CC(C)(C)OC(=O)NC1CC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)11-6-4-7(5-6)16(10,13)14/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey

NAHNINVNXATLRY-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-chlorosulfonylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.04886 Da
Monoisotopic Mass: 1.7
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]+	270.05614	152.5
[M+Na]+	292.03808	157.0
[M-H]-	268.04158	155.6
[M+NH4]+	287.08268	163.2
[M+K]+	308.01202	157.7
[M+H-H2O]+	252.04612	142.2
[M+HCOO]-	314.04706	161.9
[M+CH3COO]-	328.06271	195.8
[M+Na-2H]-	290.02353	154.5
[M]+	269.04831	165.1
[M]-	269.04941	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe