CID 146682877

N-((2e,5z)-2,5-dodecadienoyl)homoserine lactone

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCCC/C=C\C/C=C/C(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h7-8,10-11,14H,2-6,9,12-13H2,1H3,(H,17,18)/b8-7-,11-10+/t14-/m0/s1
InChIKey
IDTQGTGZLYPGAF-PYMQLLRLSA-N
Compound name
(2E,5Z)-N-[(3S)-2-oxooxolan-3-yl]dodeca-2,5-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 171.7
[M+Na]+ 302.17266 175.0
[M-H]- 278.17616 174.1
[M+NH4]+ 297.21726 187.6
[M+K]+ 318.14660 172.2
[M+H-H2O]+ 262.18070 164.9
[M+HCOO]- 324.18164 192.1
[M+CH3COO]- 338.19729 200.9
[M+Na-2H]- 300.15811 171.3
[M]+ 279.18289 172.7
[M]- 279.18399 172.7
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

No patent data available for this compound.