CID 134529

2-methylnorvaline

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCC[C@@](C)(C(=O)O)N

InChI

InChI=1S/C6H13NO2/c1-3-4-6(2,7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)/t6-/m0/s1

InChIKey

HBJGLYBWNNQMOW-LURJTMIESA-N

Compound name

(2S)-2-amino-2-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1856
Patents: 131.09464 Da
Monoisotopic Mass: -1.9
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]+	132.101916	128.8
[M+Na]+	154.083858	135.2
[M-H]-	130.087364	127.4
[M+NH4]+	149.128463	149.6
[M+K]+	170.057798	134.8
[M+H-H2O]+	114.091900	124.7
[M+HCOO]-	176.092841	149.6
[M+CH3COO]-	190.108491	172.8
[M+Na-2H]-	152.069306	133.8
[M]+	131.09409142	127.3
[M]-	131.09518858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe