CID 11681427

N-(3-hydroxytetradecanoyl)-dl-homoserine lactone

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCCCCCCCCCC(CC(=O)NC1CCOC1=O)O
InChI
InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)
InChIKey
IKQUESGRCDRZTI-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-oxooxolan-3-yl)tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

327.24097 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 186.5
[M+Na]+ 350.23019 187.3
[M-H]- 326.23369 187.1
[M+NH4]+ 345.27479 199.6
[M+K]+ 366.20413 185.5
[M+H-H2O]+ 310.23823 179.3
[M+HCOO]- 372.23917 203.5
[M+CH3COO]- 386.25482 210.2
[M+Na-2H]- 348.21564 183.5
[M]+ 327.24042 188.7
[M]- 327.24152 188.7
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