CID 171120630

N-(2e,9z-hexadecadienoyl)-homoserine lactone

Structural Information

Molecular Formula
C20H33NO3
SMILES
CCCCCC/C=C\CCCCC/C=C/C(=O)NC1CCOC1=O
InChI
InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,14-15,18H,2-6,9-13,16-17H2,1H3,(H,21,22)/b8-7-,15-14+
InChIKey
MZUTXNYGWVEQSH-QSAGCDLMSA-N
Compound name
(2E,9Z)-N-(2-oxooxolan-3-yl)hexadeca-2,9-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.24603 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.25331 189.7
[M+Na]+ 358.23525 191.3
[M-H]- 334.23875 191.4
[M+NH4]+ 353.27985 203.4
[M+K]+ 374.20919 187.5
[M+H-H2O]+ 318.24329 182.2
[M+HCOO]- 380.24423 208.8
[M+CH3COO]- 394.25988 212.9
[M+Na-2H]- 356.22070 187.2
[M]+ 335.24548 192.2
[M]- 335.24658 192.2
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

No patent data available for this compound.