CID 18468555

1808723-01-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CC(C(C1)C(=O)O)CN

InChI

InChI=1S/C7H13NO2/c8-4-5-2-1-3-6(5)7(9)10/h5-6H,1-4,8H2,(H,9,10)

InChIKey

FONSINLSFMJZQN-UHFFFAOYSA-N

Compound name

2-(aminomethyl)cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 143.09464 Da
Monoisotopic Mass: -2.2
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]+	144.10192	131.1
[M+Na]+	166.08386	138.5
[M+NH4]+	161.12846	138.6
[M+K]+	182.05780	136.4
[M-H]-	142.08736	131.3
[M+Na-2H]-	164.06931	133.5
[M]+	143.09409	131.6
[M]-	143.09519	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe