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
2
Annotation Hits

1
References

136
Patents

283.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 174.7
[M+Na]+ 306.203968 176.9
[M-H]- 282.207474 171.8
[M+NH4]+ 301.248573 189.4
[M+K]+ 322.177908 173.7
[M+H-H2O]+ 266.212010 168.0
[M+HCOO]- 328.212951 194.0
[M+CH3COO]- 342.228601 203.2
[M+Na-2H]- 304.189416 173.7
[M]+ 283.21420142 177.8
[M]- 283.21529858 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.