CID 120136

Ethyl 2-amino-4,5-dihydro-3-furoate

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCOC(=O)C1=C(OCC1)N

InChI

InChI=1S/C7H11NO3/c1-2-10-7(9)5-3-4-11-6(5)8/h2-4,8H2,1H3

InChIKey

IYBPUSLYOQNNEI-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2,3-dihydrofuran-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.0739 Da
Monoisotopic Mass: 0.8
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]+	158.081176	131.9
[M+Na]+	180.063118	139.1
[M-H]-	156.066624	135.8
[M+NH4]+	175.107723	152.8
[M+K]+	196.037058	139.9
[M+H-H2O]+	140.071160	126.6
[M+HCOO]-	202.072101	155.7
[M+CH3COO]-	216.087751	176.4
[M+Na-2H]-	178.048566	136.3
[M]+	157.07335142	132.4
[M]-	157.07444858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe