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
2
Annotation Hits

0
References

60
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 193.9
[M+Na]+ 364.28222 194.5
[M-H]- 340.28572 191.1
[M+NH4]+ 359.32682 206.8
[M+K]+ 380.25616 191.4
[M+H-H2O]+ 324.29026 186.1
[M+HCOO]- 386.29120 212.6
[M+CH3COO]- 400.30685 218.5
[M+Na-2H]- 362.26767 190.2
[M]+ 341.29245 200.2
[M]- 341.29355 200.2
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