CID 9861688

N-tetradecanoyl-serine

Structural Information

Molecular Formula
C17H33NO4
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](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)/t15-/m0/s1
InChIKey
PNOPPKWUFKUHSX-HNNXBMFYSA-N
Compound name
(2S)-3-hydroxy-2-(tetradecanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

315.24097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.248246 183.8
[M+Na]+ 338.230188 184.5
[M-H]- 314.233694 179.3
[M+NH4]+ 333.274793 196.4
[M+K]+ 354.204128 181.9
[M+H-H2O]+ 298.238230 176.9
[M+HCOO]- 360.239171 200.3
[M+CH3COO]- 374.254821 208.1
[M+Na-2H]- 336.215636 180.5
[M]+ 315.24042142 186.9
[M]- 315.24151858 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

patents stripe