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

20
Patents

327.24097 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.248246 186.5
[M+Na]+ 350.230188 187.3
[M-H]- 326.233694 187.1
[M+NH4]+ 345.274793 199.6
[M+K]+ 366.204128 185.5
[M+H-H2O]+ 310.238230 179.3
[M+HCOO]- 372.239171 203.5
[M+CH3COO]- 386.254821 210.2
[M+Na-2H]- 348.215636 183.5
[M]+ 327.24042142 188.7
[M]- 327.24151858 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