CID 154867097

2743625-67-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₄S

SMILES

CC(C)(C)OC(=O)[C@]12CNC[C@H]1CS(=O)(=O)C2

InChI

InChI=1S/C11H19NO4S/c1-10(2,3)16-9(13)11-6-12-4-8(11)5-17(14,15)7-11/h8,12H,4-7H2,1-3H3/t8-,11-/m0/s1

InChIKey

UEURVELZGMYAJH-KWQFWETISA-N

Compound name

tert-butyl (3aR,6aS)-2,2-dioxo-1,3,4,5,6,6a-hexahydrothieno[3,4-c]pyrrole-3a-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.1035 Da
Monoisotopic Mass: -0.4
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]+	262.110776	159.6
[M+Na]+	284.092718	167.6
[M-H]-	260.096224	161.4
[M+NH4]+	279.137323	183.4
[M+K]+	300.066658	165.8
[M+H-H2O]+	244.100760	157.5
[M+HCOO]-	306.101701	171.5
[M+CH3COO]-	320.117351	186.1
[M+Na-2H]-	282.078166	161.9
[M]+	261.10295142	161.5
[M]-	261.10404858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.