CID 146049508

2411323-75-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(CN)/C=C(\C)/C(=O)O

InChI

InChI=1S/C7H13NO2/c1-5(4-8)3-6(2)7(9)10/h3,5H,4,8H2,1-2H3,(H,9,10)/b6-3+

InChIKey

TUGGIBGPJQNNJF-ZZXKWVIFSA-N

Compound name

(E)-5-amino-2,4-dimethylpent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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]+	144.10192	132.9
[M+Na]+	166.08386	140.3
[M+NH4]+	161.12846	139.0
[M+K]+	182.05780	137.3
[M-H]-	142.08736	130.8
[M+Na-2H]-	164.06931	134.0
[M]+	143.09409	132.8
[M]-	143.09519	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.