CID 439232

N-acetylornithine

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

CC(=O)N[C@@H](CCCN)C(=O)O

InChI

InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

InChIKey

JRLGPAXAGHMNOL-LURJTMIESA-N

Compound name

(2S)-2-acetamido-5-aminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 65
References: 2580
Patents: 174.10045 Da
Monoisotopic Mass: -4.8
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	139.5
[M+Na]+	197.08967	145.0
[M+NH4]+	192.13427	144.4
[M+K]+	213.06361	143.0
[M-H]-	173.09317	137.0
[M+Na-2H]-	195.07512	139.8
[M]+	174.09990	138.8
[M]-	174.10100	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe