CID 21343688

883528-73-2

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC/C(=C/C(=O)OC)/N

InChI

InChI=1S/C6H11NO2/c1-3-5(7)4-6(8)9-2/h4H,3,7H2,1-2H3/b5-4-

InChIKey

NKSXDMWAVIOSTD-PLNGDYQASA-N

Compound name

methyl (Z)-3-aminopent-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 129.07898 Da
Monoisotopic Mass: 1.0
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]+	130.08626	127.9
[M+Na]+	152.06820	136.4
[M+NH4]+	147.11280	134.7
[M+K]+	168.04214	132.5
[M-H]-	128.07170	126.6
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	128.3
[M]-	129.07953	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe