CID 104704158

1700368-87-1

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(C2CC2)C(=O)O

InChI

InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14,10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16)

InChIKey

RHBCFKJGYYUWED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.14706 Da
Monoisotopic Mass: 1.7
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]+	256.154336	160.1
[M+Na]+	278.136278	167.2
[M-H]-	254.139784	164.6
[M+NH4]+	273.180883	174.0
[M+K]+	294.110218	165.4
[M+H-H2O]+	238.144320	155.6
[M+HCOO]-	300.145261	176.0
[M+CH3COO]-	314.160911	192.8
[M+Na-2H]-	276.121726	161.4
[M]+	255.14651142	162.6
[M]-	255.14760858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe