CID 17933559

Small bacteriocin

Structural Information

Molecular Formula
C18H31NO4
SMILES
CCCCCC/C=C/CCCC(CC(=O)NC1CCOC1=O)O
InChI
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7+
InChIKey
GFSFGXWHLLUVRK-BQYQJAHWSA-N
Compound name
(E)-3-hydroxy-N-(2-oxooxolan-3-yl)tetradec-7-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

325.2253 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23258 184.4
[M+Na]+ 348.21452 188.9
[M+NH4]+ 343.25912 188.1
[M+K]+ 364.18846 186.0
[M-H]- 324.21802 183.7
[M+Na-2H]- 346.19997 182.4
[M]+ 325.22475 184.1
[M]- 325.22585 184.1
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