CID 460506

1468-42-4

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

C(CCC(=O)O)CCNC(=O)N

InChI

InChI=1S/C7H14N2O3/c8-7(12)9-5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)(H3,8,9,12)

InChIKey

BQNWWHFSEXYHKU-UHFFFAOYSA-N

Compound name

6-(carbamoylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 174.10045 Da
Monoisotopic Mass: -0.5
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]+	175.10773	139.1
[M+Na]+	197.08967	144.9
[M+NH4]+	192.13427	144.1
[M+K]+	213.06361	142.2
[M-H]-	173.09317	136.8
[M+Na-2H]-	195.07512	139.8
[M]+	174.09990	138.5
[M]-	174.10100	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe