CID 132398454

2171179-76-1

Structural Information

Molecular Formula
C11H18ClNO6S
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C11H18ClNO6S/c1-11(2,3)19-10(15)13-6-7(20(12,16)17)5-8(13)9(14)18-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey
XBQVKSAZJZUFKP-YUMQZZPRSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S,4S)-4-chlorosulfonylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05432 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06160 172.2
[M+Na]+ 350.04354 178.2
[M+NH4]+ 345.08814 175.9
[M+K]+ 366.01748 177.1
[M-H]- 326.04704 167.7
[M+Na-2H]- 348.02899 171.2
[M]+ 327.05377 172.0
[M]- 327.05487 172.0
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.