CID 259613

Glycylisoleucine

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

CCC(C)C(C(=O)O)NC(=O)CN

InChI

InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)

InChIKey

KGVHCTWYMPWEGN-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 3114
Patents: 188.11609 Da
Monoisotopic Mass: -3.0
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]+	189.12337	145.0
[M+Na]+	211.10531	148.8
[M-H]-	187.10881	143.1
[M+NH4]+	206.14991	162.7
[M+K]+	227.07925	149.0
[M+H-H2O]+	171.11335	139.2
[M+HCOO]-	233.11429	165.1
[M+CH3COO]-	247.12994	187.1
[M+Na-2H]-	209.09076	144.6
[M]+	188.11554	142.5
[M]-	188.11664	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe