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 169.2
[M+Na]+ 350.04354 176.7
[M-H]- 326.04704 172.0
[M+NH4]+ 345.08814 185.4
[M+K]+ 366.01748 175.2
[M+H-H2O]+ 310.05158 165.5
[M+HCOO]- 372.05252 177.0
[M+CH3COO]- 386.06817 199.4
[M+Na-2H]- 348.02899 168.7
[M]+ 327.05377 176.4
[M]- 327.05487 176.4
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

No patent data available for this compound.