CID 104151

Lauroyl lysine

Structural Information

Molecular Formula
C18H36N2O3
SMILES
CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKey
GYDYJUYZBRGMCC-INIZCTEOSA-N
Compound name
(2S)-2-amino-6-(dodecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

5381
Patents

328.27258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.279856 189.0
[M+Na]+ 351.261798 188.8
[M-H]- 327.265304 185.1
[M+NH4]+ 346.306403 201.1
[M+K]+ 367.235738 186.1
[M+H-H2O]+ 311.269840 181.3
[M+HCOO]- 373.270781 206.8
[M+CH3COO]- 387.286431 216.1
[M+Na-2H]- 349.247246 184.9
[M]+ 328.27203142 191.0
[M]- 328.27312858 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe