CID 137964553

2225816-09-9

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃S

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CS(=N)(=O)C2

InChI

InChI=1S/C10H18N2O3S/c1-9(2,3)15-8(13)12-4-10(5-12)6-16(11,14)7-10/h11H,4-7H2,1-3H3

InChIKey

YRJBEFAWMNYWDS-UHFFFAOYSA-N

Compound name

tert-butyl 2-imino-2-oxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.10382 Da
Monoisotopic Mass: 1.4
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]+	247.111096	149.9
[M+Na]+	269.093038	152.3
[M-H]-	245.096544	153.1
[M+NH4]+	264.137643	156.2
[M+K]+	285.066978	156.8
[M+H-H2O]+	229.101080	135.7
[M+HCOO]-	291.102021	160.5
[M+CH3COO]-	305.117671	201.4
[M+Na-2H]-	267.078486	153.0
[M]+	246.10327142	166.8
[M]-	246.10436858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.