CID 10911351

177615-42-8

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)S2
InChI
InChI=1S/C10H15NO3S/c1-10(2,3)14-9(13)11-5-6-4-7(11)8(12)15-6/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
NRGHTFYSJLCXHO-BQBZGAKWSA-N
Compound name
tert-butyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.07727 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08455 154.9
[M+Na]+ 252.06649 163.2
[M-H]- 228.06999 157.0
[M+NH4]+ 247.11109 178.0
[M+K]+ 268.04043 162.4
[M+H-H2O]+ 212.07453 151.6
[M+HCOO]- 274.07547 168.1
[M+CH3COO]- 288.09112 186.7
[M+Na-2H]- 250.05194 154.7
[M]+ 229.07672 158.9
[M]- 229.07782 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe