CID 6420119

511552-46-8

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)O

InChI

InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)

InChIKey

WSVFRGGLURJIMG-UHFFFAOYSA-N

Compound name

4-(cyclohexylcarbamoylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 29
Patents: 228.1474 Da
Monoisotopic Mass: 1.0
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]+	229.15468	154.3
[M+Na]+	251.13662	159.8
[M+NH4]+	246.18122	160.0
[M+K]+	267.11056	156.0
[M-H]-	227.14012	154.4
[M+Na-2H]-	249.12207	156.1
[M]+	228.14685	154.3
[M]-	228.14795	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe