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]+ 249.12674 157.5
[M+Na]+ 271.10868 159.8
[M-H]- 247.11218 160.0
[M+NH4]+ 266.15328 167.6
[M+K]+ 287.08262 161.7
[M+H-H2O]+ 231.11672 145.0
[M+HCOO]- 293.11766 171.2
[M+CH3COO]- 307.13331 198.0
[M+Na-2H]- 269.09413 158.9
[M]+ 248.11891 166.3
[M]- 248.12001 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.