CID 90242

N6-(1-oxooctyl)-l-lysine

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKey
DUZODDYGMSCYMJ-LBPRGKRZSA-N
Compound name
(2S)-2-amino-6-(octanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

86
Patents

272.21 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 171.4
[M+Na]+ 295.19922 172.9
[M-H]- 271.20272 168.3
[M+NH4]+ 290.24382 185.8
[M+K]+ 311.17316 171.1
[M+H-H2O]+ 255.20726 164.4
[M+HCOO]- 317.20820 190.5
[M+CH3COO]- 331.22385 204.1
[M+Na-2H]- 293.18467 169.2
[M]+ 272.20945 171.9
[M]- 272.21055 171.9
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