CID 6437683

(e)-18-ethoxyoctadec-3-ene

Structural Information

Molecular Formula
C20H40O
SMILES
CC/C=C/CCCCCCCCCCCCCCOCC
InChI
InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3/b6-5+
InChIKey
WBCCOWHDSAVXAO-AATRIKPKSA-N
Compound name
(E)-18-ethoxyoctadec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

296.30792 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.315196 184.1
[M+Na]+ 319.297138 185.9
[M-H]- 295.300644 181.8
[M+NH4]+ 314.341743 199.8
[M+K]+ 335.271078 181.9
[M+H-H2O]+ 279.305180 177.1
[M+HCOO]- 341.306121 203.7
[M+CH3COO]- 355.321771 209.9
[M+Na-2H]- 317.282586 183.7
[M]+ 296.30737142 191.4
[M]- 296.30846858 191.4
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