CID 72208249

1438241-22-5

Structural Information

Molecular Formula

C₁₁H₁₉NO₆S

SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-6-7(19(4,16)17)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1

InChIKey

BCVKDKLIASJMTL-YUMQZZPRSA-N

Compound name

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 293.09332 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.100596	164.1
[M+Na]+	316.082538	170.5
[M-H]-	292.086044	165.1
[M+NH4]+	311.127143	179.9
[M+K]+	332.056478	169.8
[M+H-H2O]+	276.090580	159.7
[M+HCOO]-	338.091521	174.8
[M+CH3COO]-	352.107171	194.0
[M+Na-2H]-	314.067986	163.4
[M]+	293.09277142	167.7
[M]-	293.09386858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe