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
2
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 185.5
[M+Na]+ 348.21452 186.7
[M-H]- 324.21802 186.1
[M+NH4]+ 343.25912 198.7
[M+K]+ 364.18846 184.2
[M+H-H2O]+ 308.22256 178.4
[M+HCOO]- 370.22350 202.7
[M+CH3COO]- 384.23915 208.8
[M+Na-2H]- 346.19997 182.5
[M]+ 325.22475 186.9
[M]- 325.22585 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