CID 22145292

117259-23-1

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CC(CCC1C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)

InChIKey

TWAYLYPZRSXEOS-UHFFFAOYSA-N

Compound name

1-amino-4-phenylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 69
Patents: 219.12593 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]+	220.13321	150.8
[M+Na]+	242.11515	161.3
[M+NH4]+	237.15975	160.4
[M+K]+	258.08909	153.6
[M-H]-	218.11865	154.5
[M+Na-2H]-	240.10060	158.7
[M]+	219.12538	153.3
[M]-	219.12648	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe