CID 16061182

8(9)-epetre-ea

Structural Information

Molecular Formula
C22H37NO3
SMILES
CCCCC/C=C\C/C=C\CC1C(O1)C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-12-15-20-21(26-20)16-13-10-11-14-17-22(25)23-18-19-24/h6-7,9-10,12-13,20-21,24H,2-5,8,11,14-19H2,1H3,(H,23,25)/b7-6-,12-9-,13-10-
InChIKey
BXHPMUQFGGSDAK-TYAUOURKSA-N
Compound name
(Z)-N-(2-hydroxyethyl)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.27734 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.28462 193.2
[M+Na]+ 386.26656 196.8
[M-H]- 362.27006 194.9
[M+NH4]+ 381.31116 199.5
[M+K]+ 402.24050 190.4
[M+H-H2O]+ 346.27460 185.1
[M+HCOO]- 408.27554 211.3
[M+CH3COO]- 422.29119 219.6
[M+Na-2H]- 384.25201 192.0
[M]+ 363.27679 200.6
[M]- 363.27789 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.