CID 111105

2-butenedioic acid (2z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester

Structural Information

Molecular Formula
C18H31NO5
SMILES
CCCCCCCCCCCC(=O)NCCOC(=O)C=CC(=O)O
InChI
InChI=1S/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-14-15-24-18(23)13-12-17(21)22/h12-13H,2-11,14-15H2,1H3,(H,19,20)(H,21,22)
InChIKey
LGOGBKVYHAJYEP-UHFFFAOYSA-N
Compound name
4-[2-(dodecanoylamino)ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2202 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.22748 186.7
[M+Na]+ 364.20942 190.7
[M+NH4]+ 359.25402 200.2
[M+K]+ 380.18336 186.5
[M-H]- 340.21292 182.1
[M+Na-2H]- 362.19487 183.9
[M]+ 341.21965 185.1
[M]- 341.22075 185.1
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.