CID 165654059

Tert-butyl n-{3-[imino(methyl)oxo-lambda6-sulfanyl]cyclobutyl}carbamate

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)(C)OC(=O)NC1CC(C1)S(=N)(=O)C
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-7-5-8(6-7)16(4,11)14/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKey
CVLPYAJJSRUPPS-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(methylsulfonimidoyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11946 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.126736 157.5
[M+Na]+ 271.108678 159.8
[M-H]- 247.112184 160.0
[M+NH4]+ 266.153283 167.6
[M+K]+ 287.082618 161.7
[M+H-H2O]+ 231.116720 145.0
[M+HCOO]- 293.117661 171.2
[M+CH3COO]- 307.133311 198.0
[M+Na-2H]- 269.094126 158.9
[M]+ 248.11891142 166.3
[M]- 248.12000858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.