CID 20609258

2243509-61-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(=C(C)C(C(=O)O)N)C

InChI

InChI=1S/C7H13NO2/c1-4(2)5(3)6(8)7(9)10/h6H,8H2,1-3H3,(H,9,10)

InChIKey

DWBJHROXWPMWDC-UHFFFAOYSA-N

Compound name

2-amino-3,4-dimethylpent-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: -1.1
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]+	144.10192	133.2
[M+Na]+	166.08386	140.2
[M+NH4]+	161.12846	139.2
[M+K]+	182.05780	138.1
[M-H]-	142.08736	130.9
[M+Na-2H]-	164.06931	134.0
[M]+	143.09409	133.0
[M]-	143.09519	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe