CID 97417

Glycylvaline

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

CC(C)C(C(=O)O)NC(=O)CN

InChI

InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)

InChIKey

STKYPAFSDFAEPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 26
References: 5660
Patents: 174.10045 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]+	175.107726	140.4
[M+Na]+	197.089668	144.6
[M-H]-	173.093174	138.7
[M+NH4]+	192.134273	158.6
[M+K]+	213.063608	145.0
[M+H-H2O]+	157.097710	134.8
[M+HCOO]-	219.098651	160.8
[M+CH3COO]-	233.114301	184.1
[M+Na-2H]-	195.075116	140.5
[M]+	174.09990142	137.6
[M]-	174.10099858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.