CID 3034959

11-eicosen-1-ol, 2-(7-hexadecenyl)-

Structural Information

Molecular Formula
C36H70O
SMILES
CCCCCCCCC=CCCCCCCCCC(CCCCCCC=CCCCCCCCC)CO
InChI
InChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,36-37H,3-16,20,22-35H2,1-2H3
InChIKey
GMCHTHCFTJIVRD-UHFFFAOYSA-N
Compound name
2-hexadec-7-enylicos-11-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

518.54266 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.54994 249.4
[M+Na]+ 541.53188 254.9
[M-H]- 517.53538 229.4
[M+NH4]+ 536.57648 245.0
[M+K]+ 557.50582 255.8
[M+H-H2O]+ 501.53992 242.5
[M+HCOO]- 563.54086 255.5
[M+CH3COO]- 577.55651 253.1
[M+Na-2H]- 539.51733 233.1
[M]+ 518.54211 248.7
[M]- 518.54321 248.7
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

patents stripe