CID 20606569

Ns00058470

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

356.3039 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.311176 198.1
[M+Na]+ 379.293118 197.6
[M-H]- 355.296624 195.3
[M+NH4]+ 374.337723 210.0
[M+K]+ 395.267058 195.2
[M+H-H2O]+ 339.301160 189.9
[M+HCOO]- 401.302101 216.8
[M+CH3COO]- 415.317751 223.7
[M+Na-2H]- 377.278566 193.5
[M]+ 356.30335142 202.8
[M]- 356.30444858 202.8
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