CID 139022722

1947316-45-1

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC1C2CCC(=O)C2

InChI

InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-12(15)10-6-7-11(16)9-10/h10,12H,4-9H2,1-3H3

InChIKey

NQQWKZUZIHUCFX-UHFFFAOYSA-N

Compound name

tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.1678 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]+	254.17508	162.5
[M+Na]+	276.15702	167.3
[M-H]-	252.16052	167.3
[M+NH4]+	271.20162	181.7
[M+K]+	292.13096	166.2
[M+H-H2O]+	236.16506	156.7
[M+HCOO]-	298.16600	179.7
[M+CH3COO]-	312.18165	192.2
[M+Na-2H]-	274.14247	160.3
[M]+	253.16725	160.3
[M]-	253.16835	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.