CID 119742

H-d-lys(z)-ome.hcl

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₄

SMILES

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C15H22N2O4/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19)

InChIKey

RQDDIHNPUSEQFX-UHFFFAOYSA-N

Compound name

methyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 294.15796 Da
Monoisotopic Mass: 1.5
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]+	295.16524	170.8
[M+Na]+	317.14718	177.7
[M+NH4]+	312.19178	175.5
[M+K]+	333.12112	173.7
[M-H]-	293.15068	170.9
[M+Na-2H]-	315.13263	173.6
[M]+	294.15741	171.2
[M]-	294.15851	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe