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

22
Patents

325.2253 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.232576 185.5
[M+Na]+ 348.214518 186.7
[M-H]- 324.218024 186.1
[M+NH4]+ 343.259123 198.7
[M+K]+ 364.188458 184.2
[M+H-H2O]+ 308.222560 178.4
[M+HCOO]- 370.223501 202.7
[M+CH3COO]- 384.239151 208.8
[M+Na-2H]- 346.199966 182.5
[M]+ 325.22475142 186.9
[M]- 325.22584858 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