CID 11041524

L-allysine ethylene acetal

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

C1COC(O1)CCC[C@@H](C(=O)O)N

InChI

InChI=1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1

InChIKey

RQULWPSGQYZREI-LURJTMIESA-N

Compound name

(2S)-2-amino-5-(1,3-dioxolan-2-yl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 125
Patents: 189.10011 Da
Monoisotopic Mass: -2.7
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]+	190.10739	142.9
[M+Na]+	212.08933	149.1
[M+NH4]+	207.13393	148.6
[M+K]+	228.06327	149.1
[M-H]-	188.09283	144.3
[M+Na-2H]-	210.07478	143.0
[M]+	189.09956	143.5
[M]-	189.10066	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe