CID 3032655

2-amino-2-oxoethyl stearate

Structural Information

Molecular Formula
C20H39NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)N
InChI
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H2,21,22)
InChIKey
XDJMWTMWHKGSEB-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl) octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

341.293 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.30028 191.4
[M+Na]+ 364.28222 196.5
[M+NH4]+ 359.32682 195.2
[M+K]+ 380.25616 189.9
[M-H]- 340.28572 189.0
[M+Na-2H]- 362.26767 189.8
[M]+ 341.29245 190.9
[M]- 341.29355 190.9
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