CID 112776

61901-01-7

Structural Information

Molecular Formula
C19H38N2O4
SMILES
CCCCCCCCCCCC(=O)NCCN(CCC(=O)O)CCO
InChI
InChI=1S/C19H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-18(23)20-13-15-21(16-17-22)14-12-19(24)25/h22H,2-17H2,1H3,(H,20,23)(H,24,25)
InChIKey
AYRGATOZNZYYEE-UHFFFAOYSA-N
Compound name
3-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

358.28317 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.29045 193.6
[M+Na]+ 381.27239 196.4
[M+NH4]+ 376.31699 213.9
[M+K]+ 397.24633 192.0
[M-H]- 357.27589 190.2
[M+Na-2H]- 379.25784 190.9
[M]+ 358.28262 192.2
[M]- 358.28372 192.2
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