CID 121207725

Tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C11H19NO3S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CS2)O
InChI
InChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-16-11/h8,13H,4-7H2,1-3H3
InChIKey
AODXOUPGRJCVQY-UHFFFAOYSA-N
Compound name
tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

245.10857 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11585 154.9
[M+Na]+ 268.09779 157.1
[M+NH4]+ 263.14239 159.1
[M+K]+ 284.07173 154.2
[M-H]- 244.10129 151.2
[M+Na-2H]- 266.08324 155.1
[M]+ 245.10802 153.2
[M]- 245.10912 153.2
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

patents stripe