CID 129369626

Rac-(3r,4r)-4-cyclohexylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

C1CCC(CC1)[C@@H]2CNC[C@H]2C(=O)O

InChI

InChI=1S/C11H19NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m0/s1

InChIKey

OKFXFIAXJCYRML-VHSXEESVSA-N

Compound name

(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.14159 Da
Monoisotopic Mass: -0.2
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]+	198.148866	147.9
[M+Na]+	220.130808	150.5
[M-H]-	196.134314	149.0
[M+NH4]+	215.175413	165.5
[M+K]+	236.104748	147.6
[M+H-H2O]+	180.138850	141.1
[M+HCOO]-	242.139791	162.0
[M+CH3COO]-	256.155441	177.5
[M+Na-2H]-	218.116256	147.0
[M]+	197.14104142	138.1
[M]-	197.14213858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.