CID 2724753

96886-55-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

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

InChI

InChI=1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3H,1,4,7H2,2H3,(H,8,9)/t6-/m0/s1

InChIKey

QMBTZYHBJFPEJB-LURJTMIESA-N

Compound name

(2S)-2-amino-2-methylpent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 487
Patents: 129.07898 Da
Monoisotopic Mass: -2.1
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]+	130.08626	127.3
[M+Na]+	152.06820	134.0
[M-H]-	128.07170	125.9
[M+NH4]+	147.11280	148.1
[M+K]+	168.04214	133.0
[M+H-H2O]+	112.07624	123.3
[M+HCOO]-	174.07718	148.3
[M+CH3COO]-	188.09283	171.8
[M+Na-2H]-	150.05365	132.4
[M]+	129.07843	125.1
[M]-	129.07953	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe