CID 108833

N6-(1-oxodecyl)-l-lysine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe