CID 231225

78388-61-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)C1(CCCC1)N

InChI

InChI=1S/C7H13NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3

InChIKey

VLNNACMZTDZCFH-UHFFFAOYSA-N

Compound name

methyl 1-aminocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 565
Patents: 143.09464 Da
Monoisotopic Mass: 0.3
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	131.4
[M+Na]+	166.08386	139.1
[M+NH4]+	161.12846	140.7
[M+K]+	182.05780	134.8
[M-H]-	142.08736	132.0
[M+Na-2H]-	164.06931	136.2
[M]+	143.09409	132.4
[M]-	143.09519	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe