CID 16061039

2-amino-8-oxo-9,10-epoxy-decanoic acid

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

C1C(O1)C(=O)CCCCC[C@H](C(=O)O)N

InChI

InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m1/s1

InChIKey

PFDHVDFPTKSEKN-YOXFSPIKSA-N

Compound name

(2R)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 215.11575 Da
Monoisotopic Mass: -2.4
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]+	216.123026	147.7
[M+Na]+	238.104968	153.9
[M-H]-	214.108474	150.7
[M+NH4]+	233.149573	158.8
[M+K]+	254.078908	152.4
[M+H-H2O]+	198.113010	141.1
[M+HCOO]-	260.113951	166.9
[M+CH3COO]-	274.129601	191.2
[M+Na-2H]-	236.090416	149.7
[M]+	215.11520142	151.4
[M]-	215.11629858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe