CID 14038128

Schembl28732332

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

C1CCC(CC1)OC(=O)C2CCC(=O)N2

InChI

InChI=1S/C11H17NO3/c13-10-7-6-9(12-10)11(14)15-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)

InChIKey

RFWITBCYXRUGIY-UHFFFAOYSA-N

Compound name

cyclohexyl 5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.12085 Da
Monoisotopic Mass: 1.4
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]+	212.128126	149.1
[M+Na]+	234.110068	152.4
[M-H]-	210.113574	151.7
[M+NH4]+	229.154673	166.8
[M+K]+	250.084008	150.4
[M+H-H2O]+	194.118110	142.0
[M+HCOO]-	256.119051	165.2
[M+CH3COO]-	270.134701	180.6
[M+Na-2H]-	232.095516	148.8
[M]+	211.12030142	141.9
[M]-	211.12139858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe