CID 351625

Ethyl 2-[(propan-2-yl)amino]acetate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCOC(=O)CNC(C)C

InChI

InChI=1S/C7H15NO2/c1-4-10-7(9)5-8-6(2)3/h6,8H,4-5H2,1-3H3

InChIKey

ROGQHXXFNVNMSC-UHFFFAOYSA-N

Compound name

ethyl 2-(propan-2-ylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 145.11028 Da
Monoisotopic Mass: 0.9
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]+	146.11756	133.3
[M+Na]+	168.09950	139.2
[M-H]-	144.10300	133.6
[M+NH4]+	163.14410	154.5
[M+K]+	184.07344	139.9
[M+H-H2O]+	128.10754	128.2
[M+HCOO]-	190.10848	156.5
[M+CH3COO]-	204.12413	179.1
[M+Na-2H]-	166.08495	137.5
[M]+	145.10973	135.0
[M]-	145.11083	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe