CID 104151

52315-75-0

Structural Information

Molecular Formula

C₁₈H₃₆N₂O₃

SMILES

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

InChI

InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1

InChIKey

GYDYJUYZBRGMCC-INIZCTEOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7385
Patents: 328.27258 Da
Monoisotopic Mass: 2.2
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]+	329.27986	186.9
[M+Na]+	351.26180	190.2
[M+NH4]+	346.30640	190.0
[M+K]+	367.23574	185.6
[M-H]-	327.26530	184.0
[M+Na-2H]-	349.24725	184.5
[M]+	328.27203	185.7
[M]-	328.27313	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe