CID 82380220

Tert-butyl 8-hydroxy-5-thia-2-azaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H21NO3S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CCS2)O
InChI
InChI=1S/C12H21NO3S/c1-11(2,3)16-10(15)13-7-12(8-13)6-9(14)4-5-17-12/h9,14H,4-8H2,1-3H3
InChIKey
HQDMDLSGSZEDLA-UHFFFAOYSA-N
Compound name
tert-butyl 8-hydroxy-5-thia-2-azaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13148 156.6
[M+Na]+ 282.11342 159.3
[M-H]- 258.11692 158.2
[M+NH4]+ 277.15802 167.5
[M+K]+ 298.08736 160.9
[M+H-H2O]+ 242.12146 145.8
[M+HCOO]- 304.12240 164.3
[M+CH3COO]- 318.13805 192.1
[M+Na-2H]- 280.09887 157.7
[M]+ 259.12365 163.6
[M]- 259.12475 163.6
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.