CID 145913657

2743228-37-5

Structural Information

Molecular Formula
C10H18ClNO2S
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)Cl)SC
InChI
InChI=1S/C10H18ClNO2S/c1-10(2,3)14-9(13)12-5-7(11)8(6-12)15-4/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
WVKBZINDMBNOFY-HTQZYQBOSA-N
Compound name
tert-butyl (3R,4R)-3-chloro-4-methylsulfanylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07468 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08196 157.6
[M+Na]+ 274.06390 165.6
[M-H]- 250.06740 160.2
[M+NH4]+ 269.10850 177.4
[M+K]+ 290.03784 162.8
[M+H-H2O]+ 234.07194 153.2
[M+HCOO]- 296.07288 166.7
[M+CH3COO]- 310.08853 190.0
[M+Na-2H]- 272.04935 155.7
[M]+ 251.07413 161.8
[M]- 251.07523 161.8
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.