CID 86841

Glycyl-dl-norvaline

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

CCCC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C7H14N2O3/c1-2-3-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

JXIQKLAZYWZTRA-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 174.10045 Da
Monoisotopic Mass: -2.8
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]+	175.107726	139.9
[M+Na]+	197.089668	144.4
[M-H]-	173.093174	138.1
[M+NH4]+	192.134273	158.2
[M+K]+	213.063608	144.2
[M+H-H2O]+	157.097710	134.2
[M+HCOO]-	219.098651	161.3
[M+CH3COO]-	233.114301	183.1
[M+Na-2H]-	195.075116	141.3
[M]+	174.09990142	137.7
[M]-	174.10099858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe