CID 14698811

(1r,2s)-methyl 2-aminocyclopentanecarboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)[C@@H]1CCC[C@@H]1N

InChI

InChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1

InChIKey

RGXCCQQWSIEIEF-RITPCOANSA-N

Compound name

methyl (1R,2S)-2-aminocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 143.09464 Da
Monoisotopic Mass: 0.6
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]+	144.10192	130.9
[M+Na]+	166.08386	138.9
[M+NH4]+	161.12846	138.8
[M+K]+	182.05780	136.5
[M-H]-	142.08736	131.7
[M+Na-2H]-	164.06931	134.0
[M]+	143.09409	131.8
[M]-	143.09519	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe