CID 165950946

2694744-50-6

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C11H19NO6S/c1-10(2,3)18-9(15)12-6-5-11(7-12,8(13)14)19(4,16)17/h5-7H2,1-4H3,(H,13,14)
InChIKey
ACVFZJZFDVWLKC-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-methylsulfonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.100596 163.2
[M+Na]+ 316.082538 169.5
[M-H]- 292.086044 164.0
[M+NH4]+ 311.127143 180.7
[M+K]+ 332.056478 169.2
[M+H-H2O]+ 276.090580 160.0
[M+HCOO]- 338.091521 173.9
[M+CH3COO]- 352.107171 192.2
[M+Na-2H]- 314.067986 165.0
[M]+ 293.09277142 167.0
[M]- 293.09386858 167.0
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.