CID 56935898

6z,9z-heneicosadien-11r-ol

Structural Information

Molecular Formula
C21H40O
SMILES
CCCCCCCCCC[C@H](/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-/t21-/m0/s1
InChIKey
DMDZJDJIGNDJQK-PISUKDBQSA-N
Compound name
(6Z,9Z,11R)-henicosa-6,9-dien-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.30792 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.31520 188.4
[M+Na]+ 331.29714 189.5
[M-H]- 307.30064 184.7
[M+NH4]+ 326.34174 202.8
[M+K]+ 347.27108 184.2
[M+H-H2O]+ 291.30518 181.7
[M+HCOO]- 353.30612 205.4
[M+CH3COO]- 367.32177 209.4
[M+Na-2H]- 329.28259 185.7
[M]+ 308.30737 192.7
[M]- 308.30847 192.7
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.