CID 89494

N-myristoyl-l-serine

Structural Information

Molecular Formula
C17H33NO4
SMILES
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)O
InChI
InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22)
InChIKey
PNOPPKWUFKUHSX-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(tetradecanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

315.24097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.24825 183.8
[M+Na]+ 338.23019 184.5
[M-H]- 314.23369 179.3
[M+NH4]+ 333.27479 196.4
[M+K]+ 354.20413 181.9
[M+H-H2O]+ 298.23823 176.9
[M+HCOO]- 360.23917 200.3
[M+CH3COO]- 374.25482 208.1
[M+Na-2H]- 336.21564 180.5
[M]+ 315.24042 186.9
[M]- 315.24152 186.9
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.