CID 6454263

N6-(1-oxotetradecyl)-l-lysine

Structural Information

Molecular Formula

C₂₀H₄₀N₂O₃

SMILES

CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1

InChIKey

XTLFOGNEQSPWGW-SFHVURJKSA-N

Compound name

(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 370
Patents: 356.3039 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.311176	197.7
[M+Na]+	379.293118	196.7
[M-H]-	355.296624	193.4
[M+NH4]+	374.337723	208.7
[M+K]+	395.267058	193.5
[M+H-H2O]+	339.301160	189.6
[M+HCOO]-	401.302101	214.8
[M+CH3COO]-	415.317751	222.0
[M+Na-2H]-	377.278566	192.6
[M]+	356.30335142	200.4
[M]-	356.30444858	200.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe