CID 21896794

Methyl 2-amino-3-(dimethylamino)propanoate dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CN(C)CC(C(=O)OC)N

InChI

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

InChIKey

PYNXDJSBDJANAG-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-(dimethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 146.10553 Da
Monoisotopic Mass: -0.7
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	133.1
[M+Na]+	169.094748	138.6
[M-H]-	145.098254	134.4
[M+NH4]+	164.139353	154.2
[M+K]+	185.068688	140.6
[M+H-H2O]+	129.102790	127.4
[M+HCOO]-	191.103731	157.5
[M+CH3COO]-	205.119381	183.9
[M+Na-2H]-	167.080196	136.1
[M]+	146.10498142	133.7
[M]-	146.10607858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe