CID 10975597

3182-79-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)CNCC=C

InChI

InChI=1S/C7H13NO2/c1-3-5-8-6-7(9)10-4-2/h3,8H,1,4-6H2,2H3

InChIKey

JZXVIASGAMNRDD-UHFFFAOYSA-N

Compound name

ethyl 2-(prop-2-enylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 143.09464 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]+	144.10192	131.2
[M+Na]+	166.08386	137.6
[M-H]-	142.08736	131.4
[M+NH4]+	161.12846	152.5
[M+K]+	182.05780	137.2
[M+H-H2O]+	126.09190	126.1
[M+HCOO]-	188.09284	155.6
[M+CH3COO]-	202.10849	177.3
[M+Na-2H]-	164.06931	136.7
[M]+	143.09409	132.8
[M]-	143.09519	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe