CID 15312674

178389-41-8

Structural Information

Molecular Formula

SMILES

COC(=O)C(CC#C)N

InChI

InChI=1S/C6H9NO2/c1-3-4-5(7)6(8)9-2/h1,5H,4,7H2,2H3

InChIKey

GHQXMDDXHKPECL-UHFFFAOYSA-N

Compound name

methyl 2-aminopent-4-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 127.06333 Da
Monoisotopic Mass: -0.2
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]+	128.07061	126.8
[M+Na]+	150.05255	135.5
[M+NH4]+	145.09715	130.3
[M+K]+	166.02649	128.8
[M-H]-	126.05605	118.0
[M+Na-2H]-	148.03800	126.9
[M]+	127.06278	124.3
[M]-	127.06388	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe