CID 2113

Ornithine, 2-methyl

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CC(CCCN)(C(=O)O)N

InChI

InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)

InChIKey

LNDPCYHWPSQBCA-UHFFFAOYSA-N

Compound name

2,5-diamino-2-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 35
References: 714
Patents: 146.10553 Da
Monoisotopic Mass: -3.4
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]+	147.11281	132.7
[M+Na]+	169.09475	138.2
[M-H]-	145.09825	130.7
[M+NH4]+	164.13935	152.2
[M+K]+	185.06869	137.4
[M+H-H2O]+	129.10279	128.0
[M+HCOO]-	191.10373	153.8
[M+CH3COO]-	205.11938	177.3
[M+Na-2H]-	167.08020	136.8
[M]+	146.10498	129.3
[M]-	146.10608	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe