CID 79422876

1522279-23-7

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(C2CCOCC2)C(=O)O

InChI

InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-7-6-15(10-16,12(17)18)11-4-8-20-9-5-11/h11H,4-10H2,1-3H3,(H,17,18)

InChIKey

MGGQHVATEQJHGP-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(oxan-4-yl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 299.17328 Da
Monoisotopic Mass: 1.2
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]+	300.180556	170.0
[M+Na]+	322.162498	172.8
[M-H]-	298.166004	173.4
[M+NH4]+	317.207103	185.1
[M+K]+	338.136438	173.3
[M+H-H2O]+	282.170540	164.5
[M+HCOO]-	344.171481	181.8
[M+CH3COO]-	358.187131	196.6
[M+Na-2H]-	320.147946	170.5
[M]+	299.17273142	167.1
[M]-	299.17382858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe