CID 6994772

37148-99-5

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C6H14N2O2/c1-8-5(6(9)10)3-2-4-7/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m0/s1

InChIKey

OZRWQPFBXDVLAH-YFKPBYRVSA-N

Compound name

(2S)-5-amino-2-(methylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3205
Patents: 146.10553 Da
Monoisotopic Mass: -3.1
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	133.4
[M+Na]+	169.09475	138.2
[M-H]-	145.09825	131.6
[M+NH4]+	164.13935	153.0
[M+K]+	185.06869	137.8
[M+H-H2O]+	129.10279	127.9
[M+HCOO]-	191.10373	155.7
[M+CH3COO]-	205.11938	178.5
[M+Na-2H]-	167.08020	136.5
[M]+	146.10498	130.8
[M]-	146.10608	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe