CID 18634292

N2-(1-oxodecyl)-l-lysine

Structural Information

Molecular Formula
C16H32N2O3
SMILES
CCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-14(16(20)21)11-9-10-13-17/h14H,2-13,17H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKey
HWNOUKMTAAQVNH-AWEZNQCLSA-N
Compound name
(2S)-6-amino-2-(decanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

300.2413 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.248576 180.3
[M+Na]+ 323.230518 180.9
[M-H]- 299.234024 176.7
[M+NH4]+ 318.275123 193.5
[M+K]+ 339.204458 178.6
[M+H-H2O]+ 283.238560 172.9
[M+HCOO]- 345.239501 198.7
[M+CH3COO]- 359.255151 210.1
[M+Na-2H]- 321.215966 177.1
[M]+ 300.24075142 181.5
[M]- 300.24184858 181.5
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