CID 6262

L-ornithine

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

C(C[C@@H](C(=O)O)N)CN

InChI

InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1

InChIKey

AHLPHDHHMVZTML-BYPYZUCNSA-N

Compound name

(2S)-2,5-diaminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 7006
References: 35120
Patents: 132.08987 Da
Monoisotopic Mass: -4.4
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]+	133.09715	129.1
[M+Na]+	155.07909	134.4
[M-H]-	131.08259	127.0
[M+NH4]+	150.12369	149.0
[M+K]+	171.05303	133.9
[M+H-H2O]+	115.08713	123.9
[M+HCOO]-	177.08807	151.1
[M+CH3COO]-	191.10372	174.9
[M+Na-2H]-	153.06454	131.7
[M]+	132.08932	125.2
[M]-	132.09042	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe