CID 44146864

N2,n2-dimethyl-n6-(1-oxodecyl)-l-lysine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.27258 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.279856 189.6
[M+Na]+ 351.261798 189.7
[M-H]- 327.265304 187.8
[M+NH4]+ 346.306403 202.7
[M+K]+ 367.235738 188.7
[M+H-H2O]+ 311.269840 181.9
[M+HCOO]- 373.270781 208.6
[M+CH3COO]- 387.286431 219.9
[M+Na-2H]- 349.247246 185.8
[M]+ 328.27203142 194.0
[M]- 328.27312858 194.0
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.