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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.