CID 21721284

4-[(methoxycarbonyl)amino]butanoic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

COC(=O)NCCCC(=O)O

InChI

InChI=1S/C6H11NO4/c1-11-6(10)7-4-2-3-5(8)9/h2-4H2,1H3,(H,7,10)(H,8,9)

InChIKey

NRNSATHMPHIAMT-UHFFFAOYSA-N

Compound name

4-(methoxycarbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 161.0688 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]+	162.07608	133.2
[M+Na]+	184.05802	139.2
[M-H]-	160.06152	132.1
[M+NH4]+	179.10262	152.8
[M+K]+	200.03196	139.7
[M+H-H2O]+	144.06606	128.1
[M+HCOO]-	206.06700	155.9
[M+CH3COO]-	220.08265	176.0
[M+Na-2H]-	182.04347	137.4
[M]+	161.06825	134.6
[M]-	161.06935	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe