CID 165756821

2758001-46-4

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CS2
InChI
InChI=1S/C11H19NO2S/c1-10(2,3)14-9(13)12-6-4-5-11(7-12)8-15-11/h4-8H2,1-3H3
InChIKey
DJSIZXAXXNJJOI-UHFFFAOYSA-N
Compound name
tert-butyl 1-thia-7-azaspiro[2.5]octane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.120926 154.0
[M+Na]+ 252.102868 161.1
[M-H]- 228.106374 158.4
[M+NH4]+ 247.147473 168.7
[M+K]+ 268.076808 159.7
[M+H-H2O]+ 212.110910 148.3
[M+HCOO]- 274.111851 165.5
[M+CH3COO]- 288.127501 188.7
[M+Na-2H]- 250.088316 157.1
[M]+ 229.11310142 156.3
[M]- 229.11419858 156.3
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.