CID 18672431

361442-24-2

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CCC1CCN(C1C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO4/c1-5-8-6-7-13(9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)

InChIKey

XLDQNKSCLODJJQ-UHFFFAOYSA-N

Compound name

3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 243.14706 Da
Monoisotopic Mass: 2.0
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]+	244.154336	157.0
[M+Na]+	266.136278	162.9
[M-H]-	242.139784	157.7
[M+NH4]+	261.180883	174.6
[M+K]+	282.110218	162.3
[M+H-H2O]+	226.144320	151.8
[M+HCOO]-	288.145261	173.3
[M+CH3COO]-	302.160911	190.0
[M+Na-2H]-	264.121726	156.4
[M]+	243.14651142	157.7
[M]-	243.14760858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe