CID 9794047

748754-87-2

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CC(C1)(CC(=O)O)CN

InChI

InChI=1S/C7H13NO2/c8-5-7(2-1-3-7)4-6(9)10/h1-5,8H2,(H,9,10)

InChIKey

JPTZCXJSCJAXEE-UHFFFAOYSA-N

Compound name

2-[1-(aminomethyl)cyclobutyl]acetic 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	133.8
[M+Na]+	166.08386	138.1
[M-H]-	142.08736	135.3
[M+NH4]+	161.12846	149.1
[M+K]+	182.05780	140.2
[M+H-H2O]+	126.09190	124.3
[M+HCOO]-	188.09284	153.8
[M+CH3COO]-	202.10849	176.7
[M+Na-2H]-	164.06931	138.1
[M]+	143.09409	139.2
[M]-	143.09519	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe