CID 44613051

(2e,7z)-n-[(3s)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCCC/C=C\CCC/C=C/C(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,12-13,16H,2-6,9-11,14-15H2,1H3,(H,19,20)/b8-7-,13-12+/t16-/m0/s1
InChIKey
TYHKFWFVACFWKK-SLMRMYRXSA-N
Compound name
(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 180.7
[M+Na]+ 330.20397 183.2
[M-H]- 306.20747 182.8
[M+NH4]+ 325.24857 195.6
[M+K]+ 346.17791 179.9
[M+H-H2O]+ 290.21201 173.6
[M+HCOO]- 352.21295 200.5
[M+CH3COO]- 366.22860 206.9
[M+Na-2H]- 328.18942 179.3
[M]+ 307.21420 182.5
[M]- 307.21530 182.5
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.