CID 129413860

2503155-39-1

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

COC(=O)[C@@H]1CNC[C@H]1C2CCCCC2

InChI

InChI=1S/C12H21NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h9-11,13H,2-8H2,1H3/t10-,11+/m0/s1

InChIKey

OTUWIMKVPNIHSG-WDEREUQCSA-N

Compound name

methyl (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.15723 Da
Monoisotopic Mass: 2.4
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]+	212.164506	152.1
[M+Na]+	234.146448	154.7
[M-H]-	210.149954	154.5
[M+NH4]+	229.191053	169.9
[M+K]+	250.120388	152.5
[M+H-H2O]+	194.154490	144.9
[M+HCOO]-	256.155431	167.4
[M+CH3COO]-	270.171081	182.3
[M+Na-2H]-	232.131896	151.1
[M]+	211.15668142	144.4
[M]-	211.15777858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe