CID 13633421

103414-98-8

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)/C=C(\C)/CN

InChI

InChI=1S/C7H13NO2/c1-3-10-7(9)4-6(2)5-8/h4H,3,5,8H2,1-2H3/b6-4+

InChIKey

UTIONHNCXTWISU-GQCTYLIASA-N

Compound name

ethyl (E)-4-amino-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: 0.4
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]+	144.101916	132.5
[M+Na]+	166.083858	138.7
[M-H]-	142.087364	132.3
[M+NH4]+	161.128463	153.5
[M+K]+	182.057798	138.5
[M+H-H2O]+	126.091900	127.5
[M+HCOO]-	188.092841	155.3
[M+CH3COO]-	202.108491	176.8
[M+Na-2H]-	164.069306	135.6
[M]+	143.09409142	132.3
[M]-	143.09518858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe