CID 23336052

2377035-27-1

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CCC(CC1)(C2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C13H17NO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9,14H2,(H,15,16)

InChIKey

YGRBKPGPUVNQSI-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.12593 Da
Monoisotopic Mass: 2.7
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

No literature data available for this compound.

Patent stripe

patents stripe