CID 7033630

Methyl (2s)-2-[(furan-2-yl)formamido]propanoate

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

C[C@@H](C(=O)OC)NC(=O)C1=CC=CO1

InChI

InChI=1S/C9H11NO4/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m0/s1

InChIKey

WNQAJUYLFLETEV-LURJTMIESA-N

Compound name

methyl (2S)-2-(furan-2-carbonylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 197.0688 Da
Monoisotopic Mass: 0.9
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]+	198.076076	142.7
[M+Na]+	220.058018	148.8
[M-H]-	196.061524	147.0
[M+NH4]+	215.102623	161.7
[M+K]+	236.031958	150.2
[M+H-H2O]+	180.066060	136.7
[M+HCOO]-	242.067001	166.3
[M+CH3COO]-	256.082651	183.9
[M+Na-2H]-	218.043466	146.1
[M]+	197.06825142	145.3
[M]-	197.06934858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe