CID 14497053

L-furosine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

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

InChI

InChI=1S/C12H18N2O4/c13-9(12(16)17)4-1-2-6-14-8-10(15)11-5-3-7-18-11/h3,5,7,9,14H,1-2,4,6,8,13H2,(H,16,17)

InChIKey

YQHPCDPFXQXCMV-UHFFFAOYSA-N

Compound name

2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.12666 Da
Monoisotopic Mass: -1.9
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]+	255.13394	160.9
[M+Na]+	277.11588	164.0
[M-H]-	253.11938	162.5
[M+NH4]+	272.16048	175.9
[M+K]+	293.08982	163.5
[M+H-H2O]+	237.12392	153.6
[M+HCOO]-	299.12486	182.2
[M+CH3COO]-	313.14051	196.5
[M+Na-2H]-	275.10133	161.5
[M]+	254.12611	160.9
[M]-	254.12721	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe