CID 129627985

Dimethyl lauroyl lysine

Structural Information

Molecular Formula

C₂₀H₄₀N₂O₃

SMILES

CCCCCCCCCCCC(=O)N(C)[C@@](C)(CCCCN)C(=O)O

InChI

InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-15-18(23)22(3)20(2,19(24)25)16-13-14-17-21/h4-17,21H2,1-3H3,(H,24,25)/t20-/m0/s1

InChIKey

IWBTZYKIQAIVKD-FQEVSTJZSA-N

Compound name

(2S)-6-amino-2-[dodecanoyl(methyl)amino]-2-methylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 356.3039 Da
Monoisotopic Mass: 2.6
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	197.2
[M+Na]+	379.293118	197.1
[M-H]-	355.296624	194.7
[M+NH4]+	374.337723	204.7
[M+K]+	395.267058	195.2
[M+H-H2O]+	339.301160	189.8
[M+HCOO]-	401.302101	208.6
[M+CH3COO]-	415.317751	224.8
[M+Na-2H]-	377.278566	193.5
[M]+	356.30335142	201.4
[M]-	356.30444858	201.4

Literature stripe

literature stripe

Patent stripe

patents stripe