CID 51055215

(3r)-3-methyl-d-ornithine

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1

InChIKey

HYUPFEBCCJWDJX-RFZPGFLSSA-N

Compound name

(2R,3R)-2,5-diamino-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 52
Patents: 146.10553 Da
Monoisotopic Mass: -3.2
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]+	147.112806	134.5
[M+Na]+	169.094748	139.0
[M-H]-	145.098254	132.3
[M+NH4]+	164.139353	153.7
[M+K]+	185.068688	138.9
[M+H-H2O]+	129.102790	129.1
[M+HCOO]-	191.103731	155.1
[M+CH3COO]-	205.119381	178.9
[M+Na-2H]-	167.080196	135.2
[M]+	146.10498142	130.2
[M]-	146.10607858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe