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: 448
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]+	130.086256	127.3
[M+Na]+	152.068198	134.0
[M-H]-	128.071704	125.9
[M+NH4]+	147.112803	148.1
[M+K]+	168.042138	133.0
[M+H-H2O]+	112.076240	123.3
[M+HCOO]-	174.077181	148.3
[M+CH3COO]-	188.092831	171.8
[M+Na-2H]-	150.053646	132.4
[M]+	129.07843142	125.1
[M]-	129.07952858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe