CID 6437606

Mono(lauroylamidoethyl) maleate

Structural Information

Molecular Formula
C18H31NO5
SMILES
CCCCCCCCCCCC(=O)NCCOC(=O)/C=C\C(=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)/b13-12-
InChIKey
LGOGBKVYHAJYEP-SEYXRHQNSA-N
Compound name
(Z)-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 187.5
[M+Na]+ 364.20942 188.8
[M-H]- 340.21292 184.3
[M+NH4]+ 359.25402 199.6
[M+K]+ 380.18336 186.2
[M+H-H2O]+ 324.21746 180.2
[M+HCOO]- 386.21840 205.8
[M+CH3COO]- 400.23405 212.6
[M+Na-2H]- 362.19487 184.5
[M]+ 341.21965 192.7
[M]- 341.22075 192.7
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.