CID 14698811

128001-37-6

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: 119
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	130.8
[M+Na]+	166.08386	136.9
[M-H]-	142.08736	133.7
[M+NH4]+	161.12846	153.4
[M+K]+	182.05780	136.6
[M+H-H2O]+	126.09190	125.5
[M+HCOO]-	188.09284	153.7
[M+CH3COO]-	202.10849	174.7
[M+Na-2H]-	164.06931	133.1
[M]+	143.09409	127.7
[M]-	143.09519	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe