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]+ 294.10060 163.2
[M+Na]+ 316.08254 169.5
[M-H]- 292.08604 164.0
[M+NH4]+ 311.12714 180.7
[M+K]+ 332.05648 169.2
[M+H-H2O]+ 276.09058 160.0
[M+HCOO]- 338.09152 173.9
[M+CH3COO]- 352.10717 192.2
[M+Na-2H]- 314.06799 165.0
[M]+ 293.09277 167.0
[M]- 293.09387 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.