CID 14698811

154460-33-0

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

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
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]+	144.101916	130.8
[M+Na]+	166.083858	136.9
[M-H]-	142.087364	133.7
[M+NH4]+	161.128463	153.4
[M+K]+	182.057798	136.6
[M+H-H2O]+	126.091900	125.5
[M+HCOO]-	188.092841	153.7
[M+CH3COO]-	202.108491	174.7
[M+Na-2H]-	164.069306	133.1
[M]+	143.09409142	127.7
[M]-	143.09518858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe