CID 10861694

2-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran

Structural Information

Molecular Formula
C25H42O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC1CCCCO1)/C)/C)/C)C
InChI
InChI=1S/C25H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,13,15,18,25H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15+,24-18+
InChIKey
FNIDLMKCOPGPQR-UEMCGOGJSA-N
Compound name
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.31848 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32576 205.2
[M+Na]+ 397.30770 203.4
[M-H]- 373.31120 205.7
[M+NH4]+ 392.35230 215.5
[M+K]+ 413.28164 199.5
[M+H-H2O]+ 357.31574 197.3
[M+HCOO]- 419.31668 216.4
[M+CH3COO]- 433.33233 221.9
[M+Na-2H]- 395.29315 197.9
[M]+ 374.31793 204.5
[M]- 374.31903 204.5
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.