CID 95849

13200-60-7

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCOC(=O)CNC

InChI

InChI=1S/C5H11NO2/c1-3-8-5(7)4-6-2/h6H,3-4H2,1-2H3

InChIKey

BTKSUULMJNNXHG-UHFFFAOYSA-N

Compound name

ethyl 2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4033
Patents: 117.07898 Da
Monoisotopic Mass: 0.1
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]+	118.086256	123.5
[M+Na]+	140.068198	130.4
[M-H]-	116.071704	124.0
[M+NH4]+	135.112803	145.9
[M+K]+	156.042138	131.2
[M+H-H2O]+	100.076240	118.7
[M+HCOO]-	162.077181	148.3
[M+CH3COO]-	176.092831	172.1
[M+Na-2H]-	138.053646	130.0
[M]+	117.07843142	125.0
[M]-	117.07952858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe