CID 5356956

52492-69-0

Structural Information

Molecular Formula

C₁₆H₂₉NO₃

SMILES

CCCCCCCCCCCCNC(=O)/C=C\C(=O)O

InChI

InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h12-13H,2-11,14H2,1H3,(H,17,18)(H,19,20)/b13-12-

InChIKey

OEWYPDFKPCJYMS-SEYXRHQNSA-N

Compound name

(Z)-4-(dodecylamino)-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 110
Patents: 283.21475 Da
Monoisotopic Mass: 4.9
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]+	284.22203	173.9
[M+Na]+	306.20397	179.6
[M+NH4]+	301.24857	177.9
[M+K]+	322.17791	173.9
[M-H]-	282.20747	171.0
[M+Na-2H]-	304.18942	172.9
[M]+	283.21420	173.2
[M]-	283.21530	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe