CID 17819289

27233-34-7

Structural Information

Molecular Formula
C36H70O
SMILES
CCCCCCCC/C=C/CCCCCCCCOCCCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChIKey
FFJCNSLCJOQHKM-XPWSMXQVSA-N
Compound name
(E)-1-[(E)-octadec-9-enoxy]octadec-9-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

18501
Patents

518.54266 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.54994 250.8
[M+Na]+ 541.53188 256.7
[M-H]- 517.53538 229.5
[M+NH4]+ 536.57648 247.0
[M+K]+ 557.50582 257.0
[M+H-H2O]+ 501.53992 240.7
[M+HCOO]- 563.54086 260.8
[M+CH3COO]- 577.55651 255.1
[M+Na-2H]- 539.51733 234.6
[M]+ 518.54211 251.4
[M]- 518.54321 251.4
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

patents stripe