CID 13323352

Propan-2-yl 2-(methylamino)acetate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)OC(=O)CNC

InChI

InChI=1S/C6H13NO2/c1-5(2)9-6(8)4-7-3/h5,7H,4H2,1-3H3

InChIKey

YRJZXBJXYOBRLR-UHFFFAOYSA-N

Compound name

propan-2-yl 2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 280
Patents: 131.09464 Da
Monoisotopic Mass: 0.5
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]+	132.101916	128.6
[M+Na]+	154.083858	134.9
[M-H]-	130.087364	129.1
[M+NH4]+	149.128463	150.4
[M+K]+	170.057798	135.9
[M+H-H2O]+	114.091900	123.8
[M+HCOO]-	176.092841	152.2
[M+CH3COO]-	190.108491	176.0
[M+Na-2H]-	152.069306	133.3
[M]+	131.09409142	129.9
[M]-	131.09518858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe