CID 165756821

Tert-butyl1-thia-5-azaspiro[2.5]octane-5-carboxylate

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]+ 230.12093 154.0
[M+Na]+ 252.10287 161.1
[M-H]- 228.10637 158.4
[M+NH4]+ 247.14747 168.7
[M+K]+ 268.07681 159.7
[M+H-H2O]+ 212.11091 148.3
[M+HCOO]- 274.11185 165.5
[M+CH3COO]- 288.12750 188.7
[M+Na-2H]- 250.08832 157.1
[M]+ 229.11310 156.3
[M]- 229.11420 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.