CID 13799938

1228880-64-5

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CC(CCC1CC(=O)O)CN

InChI

InChI=1S/C9H17NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h7-8H,1-6,10H2,(H,11,12)

InChIKey

OILYAPVNRYNPRT-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)cyclohexyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 171.12593 Da
Monoisotopic Mass: -1.4
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]+	172.13321	139.0
[M+Na]+	194.11515	147.2
[M+NH4]+	189.15975	146.5
[M+K]+	210.08909	142.6
[M-H]-	170.11865	140.0
[M+Na-2H]-	192.10060	142.0
[M]+	171.12538	140.0
[M]-	171.12648	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe