CID 2733408

Z-glu-ome

Structural Information

Molecular Formula

C₁₄H₁₇NO₆

SMILES

COC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H17NO6/c1-20-13(18)11(7-8-12(16)17)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,17)/t11-/m0/s1

InChIKey

BGMCTGARFXPQML-NSHDSACASA-N

Compound name

(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 295.1056 Da
Monoisotopic Mass: 1.2
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]+	296.11288	166.6
[M+Na]+	318.09482	173.5
[M+NH4]+	313.13942	170.2
[M+K]+	334.06876	171.3
[M-H]-	294.09832	164.7
[M+Na-2H]-	316.08027	168.6
[M]+	295.10505	166.3
[M]-	295.10615	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe