CID 22324599

1432056-71-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CC1(CC(CN1C(=O)OC(C)(C)C)O)C(=O)O

InChI

InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-6-7(13)5-11(12,4)8(14)15/h7,13H,5-6H2,1-4H3,(H,14,15)

InChIKey

SQJVUMFKCPOWJL-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 245.12633 Da
Monoisotopic Mass: 0.4
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]+	246.133606	153.8
[M+Na]+	268.115548	160.5
[M-H]-	244.119054	153.6
[M+NH4]+	263.160153	172.6
[M+K]+	284.089488	160.2
[M+H-H2O]+	228.123590	150.3
[M+HCOO]-	290.124531	169.2
[M+CH3COO]-	304.140181	186.3
[M+Na-2H]-	266.100996	155.1
[M]+	245.12578142	154.1
[M]-	245.12687858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe