CID 132343966

2138422-71-4

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄S

SMILES

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)CS(=O)(=O)N

InChI

InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-9-5-4-8(6-9)7-18(12,15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H2,12,15,16)/t8-,9+/m0/s1

InChIKey

SYJLDJITFWJHRN-DTWKUNHWSA-N

Compound name

tert-butyl N-[(1R,3S)-3-(sulfamoylmethyl)cyclopentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.13004 Da
Monoisotopic Mass: 0.8
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]+	279.137316	164.2
[M+Na]+	301.119258	168.7
[M-H]-	277.122764	166.7
[M+NH4]+	296.163863	181.6
[M+K]+	317.093198	167.2
[M+H-H2O]+	261.127300	158.8
[M+HCOO]-	323.128241	179.1
[M+CH3COO]-	337.143891	197.8
[M+Na-2H]-	299.104706	164.9
[M]+	278.12949142	164.4
[M]-	278.13058858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.