CID 6436471

N2,n2-dimethyl-n6-oleoyl-dl-lysine

Structural Information

Molecular Formula
C26H50N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)27-23-20-19-21-24(26(30)31)28(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,27,29)(H,30,31)/b12-11-/t24-/m0/s1
InChIKey
PPYOSYACEILSKE-IPYQYMIDSA-N
Compound name
(2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.38214 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.389416 223.4
[M+Na]+ 461.371358 242.8
[M-H]- 437.374864 226.9
[M+NH4]+ 456.415963 234.5
[M+K]+ 477.345298 216.9
[M+H-H2O]+ 421.379400 214.4
[M+HCOO]- 483.380341 233.0
[M+CH3COO]- 497.395991 241.9
[M+Na-2H]- 459.356806 215.6
[M]+ 438.38159142 227.8
[M]- 438.38268858 227.8
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.