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

3
Patents

356.3039 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31118 197.2
[M+Na]+ 379.29312 197.1
[M-H]- 355.29662 194.7
[M+NH4]+ 374.33772 204.7
[M+K]+ 395.26706 195.2
[M+H-H2O]+ 339.30116 189.8
[M+HCOO]- 401.30210 208.6
[M+CH3COO]- 415.31775 224.8
[M+Na-2H]- 377.27857 193.5
[M]+ 356.30335 201.4
[M]- 356.30445 201.4
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