CID 53746540

N2,n2-dimethyl-n6-(1-oxododecyl)-l-lysine

Structural Information

Molecular Formula
C20H40N2O3
SMILES
CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKey
CYGAEZQNRUGNLL-SFHVURJKSA-N
Compound name
(2S)-2-(dimethylamino)-6-(dodecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

356.3039 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.311176 198.6
[M+Na]+ 379.293118 197.8
[M-H]- 355.296624 196.3
[M+NH4]+ 374.337723 210.5
[M+K]+ 395.267058 196.2
[M+H-H2O]+ 339.301160 190.5
[M+HCOO]- 401.302101 216.8
[M+CH3COO]- 415.317751 225.8
[M+Na-2H]- 377.278566 193.7
[M]+ 356.30335142 203.6
[M]- 356.30444858 203.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe