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

33
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 153.5
[M+Na]+ 268.09779 157.5
[M-H]- 244.10129 156.0
[M+NH4]+ 263.14239 167.0
[M+K]+ 284.07173 159.2
[M+H-H2O]+ 228.10583 144.0
[M+HCOO]- 290.10677 163.7
[M+CH3COO]- 304.12242 188.8
[M+Na-2H]- 266.08324 153.8
[M]+ 245.10802 162.4
[M]- 245.10912 162.4
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