CID 21777851

(10z,12z)-henicosa-10,12,20-trien-1,14-diyn-3-ol

Structural Information

Molecular Formula
C21H30O
SMILES
C=CCCCCC#C/C=C\C=C/CCCCCCC(C#C)O
InChI
InChI=1S/C21H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)4-2/h2-3,11-14,21-22H,1,5-8,15-20H2/b12-11-,14-13-
InChIKey
NXBRVCXELKTHEY-OSZYEJKESA-N
Compound name
(10Z,12Z)-henicosa-10,12,20-trien-1,14-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22968 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23696 176.8
[M+Na]+ 321.21890 183.6
[M-H]- 297.22240 175.8
[M+NH4]+ 316.26350 186.7
[M+K]+ 337.19284 177.1
[M+H-H2O]+ 281.22694 162.8
[M+HCOO]- 343.22788 183.2
[M+CH3COO]- 357.24353 222.7
[M+Na-2H]- 319.20435 174.0
[M]+ 298.22913 170.1
[M]- 298.23023 170.1
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.