CID 20841394

71655-21-5

Structural Information

Molecular Formula
C23H42O2
SMILES
CCCC/C=C\CCCCCCCC/C=C/CCOC1CCCCO1
InChI
InChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h5-6,15-16,23H,2-4,7-14,17-22H2,1H3/b6-5-,16-15+
InChIKey
YYBPWCVCMWLJGZ-IYUNJCAYSA-N
Compound name
2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.31848 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.32576 197.1
[M+Na]+ 373.30770 196.1
[M-H]- 349.31120 197.4
[M+NH4]+ 368.35230 208.5
[M+K]+ 389.28164 192.1
[M+H-H2O]+ 333.31574 188.6
[M+HCOO]- 395.31668 212.5
[M+CH3COO]- 409.33233 215.6
[M+Na-2H]- 371.29315 195.7
[M]+ 350.31793 199.7
[M]- 350.31903 199.7
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.