CID 18187971

364056-61-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CS2

InChI

InChI=1S/C11H19NO2S/c1-10(2,3)14-9(13)12-6-4-11(5-7-12)8-15-11/h4-8H2,1-3H3

InChIKey

UDJDJFYVGCOSDZ-UHFFFAOYSA-N

Compound name

tert-butyl 1-thia-6-azaspiro[2.5]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 229.11365 Da
Monoisotopic Mass: 1.9
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]+	230.12093	157.5
[M+Na]+	252.10287	167.9
[M+NH4]+	247.14747	167.4
[M+K]+	268.07681	160.9
[M-H]-	228.10637	165.3
[M+Na-2H]-	250.08832	164.8
[M]+	229.11310	162.8
[M]-	229.11420	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe