CID 137964505

Tert-butyl 5-thia-8-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC(C)(C)OC(=O)C1CC2(C1)NCCS2
InChI
InChI=1S/C11H19NO2S/c1-10(2,3)14-9(13)8-6-11(7-8)12-4-5-15-11/h8,12H,4-7H2,1-3H3
InChIKey
QGKJSZIFSLRRTB-UHFFFAOYSA-N
Compound name
tert-butyl 5-thia-8-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.120926 151.1
[M+Na]+ 252.102868 154.6
[M-H]- 228.106374 153.3
[M+NH4]+ 247.147473 164.9
[M+K]+ 268.076808 155.6
[M+H-H2O]+ 212.110910 141.3
[M+HCOO]- 274.111851 161.2
[M+CH3COO]- 288.127501 186.3
[M+Na-2H]- 250.088316 151.6
[M]+ 229.11310142 158.2
[M]- 229.11419858 158.2
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.