CID 50644

100811-84-5

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC(C)(COC(=O)C1=CC=C(C=C1)N)NC2CCCCC2

InChI

InChI=1S/C17H26N2O2/c1-17(2,19-15-6-4-3-5-7-15)12-21-16(20)13-8-10-14(18)11-9-13/h8-11,15,19H,3-7,12,18H2,1-2H3

InChIKey

GINKCLNLECBRLR-UHFFFAOYSA-N

Compound name

[2-(cyclohexylamino)-2-methylpropyl] 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 3.1
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]+	291.206706	170.2
[M+Na]+	313.188648	172.0
[M-H]-	289.192154	174.8
[M+NH4]+	308.233253	184.3
[M+K]+	329.162588	169.2
[M+H-H2O]+	273.196690	162.3
[M+HCOO]-	335.197631	188.7
[M+CH3COO]-	349.213281	206.4
[M+Na-2H]-	311.174096	172.4
[M]+	290.19888142	165.0
[M]-	290.19997858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.