CID 513454

O-myristoyl serine

Structural Information

Molecular Formula
C17H33NO4
SMILES
CCCCCCCCCCCCCC(=O)OCC(C(=O)O)N
InChI
InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)22-14-15(18)17(20)21/h15H,2-14,18H2,1H3,(H,20,21)
InChIKey
FWFMLOFYAPKSBD-UHFFFAOYSA-N
Compound name
2-amino-3-tetradecanoyloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

315.24097 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.24825 184.0
[M+Na]+ 338.23019 185.1
[M-H]- 314.23369 180.3
[M+NH4]+ 333.27479 197.0
[M+K]+ 354.20413 183.0
[M+H-H2O]+ 298.23823 176.8
[M+HCOO]- 360.23917 201.4
[M+CH3COO]- 374.25482 209.9
[M+Na-2H]- 336.21564 180.1
[M]+ 315.24042 187.9
[M]- 315.24152 187.9
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