CID 28175923

2824986-84-5

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C6H14N2O2/c1-8(2)4-3-5(7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)/t5-/m0/s1

InChIKey

XVQRABGSXSUQLJ-YFKPBYRVSA-N

Compound name

(2S)-2-amino-4-(dimethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 146.10553 Da
Monoisotopic Mass: -3.7
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	133.5
[M+Na]+	169.094748	138.5
[M-H]-	145.098254	133.3
[M+NH4]+	164.139353	153.8
[M+K]+	185.068688	139.6
[M+H-H2O]+	129.102790	128.0
[M+HCOO]-	191.103731	156.3
[M+CH3COO]-	205.119381	182.0
[M+Na-2H]-	167.080196	135.9
[M]+	146.10498142	132.2
[M]-	146.10607858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe