CID 18596607

(2e)-5-amino-2-methylpent-2-enoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C/C(=C\CCN)/C(=O)O

InChI

InChI=1S/C6H11NO2/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H,8,9)/b5-3+

InChIKey

UUZBMBGPWXYEQZ-HWKANZROSA-N

Compound name

(E)-5-amino-2-methylpent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 985
Patents: 129.07898 Da
Monoisotopic Mass: -2.3
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	128.5
[M+Na]+	152.068198	134.6
[M-H]-	128.071704	126.9
[M+NH4]+	147.112803	149.2
[M+K]+	168.042138	133.6
[M+H-H2O]+	112.076240	123.8
[M+HCOO]-	174.077181	150.0
[M+CH3COO]-	188.092831	171.8
[M+Na-2H]-	150.053646	131.5
[M]+	129.07843142	126.0
[M]-	129.07952858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe