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

2
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	153.5
[M+Na]+	251.13662	154.8
[M-H]-	227.14012	154.1
[M+NH4]+	246.18122	169.5
[M+K]+	267.11056	153.5
[M+H-H2O]+	211.14466	146.6
[M+HCOO]-	273.14560	172.6
[M+CH3COO]-	287.16125	190.8
[M+Na-2H]-	249.12207	155.3
[M]+	228.14685	147.8
[M]-	228.14795	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe