CID 14797109

129030-33-7

Structural Information

Molecular Formula

SMILES

C1=COC=C1CC(C(=O)O)N

InChI

InChI=1S/C7H9NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)

InChIKey

ZAFNLUPTKPOREL-UHFFFAOYSA-N

Compound name

2-amino-3-(furan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 155.05824 Da
Monoisotopic Mass: -2.3
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]+	156.06552	131.9
[M+Na]+	178.04746	140.3
[M+NH4]+	173.09206	138.6
[M+K]+	194.02140	139.3
[M-H]-	154.05096	132.9
[M+Na-2H]-	176.03291	135.0
[M]+	155.05769	132.9
[M]-	155.05879	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe