CID 21777850

(4e,10z,12z)-henicosa-4,10,12,20-tetraen-1,14-diyn-3-ol

Structural Information

Molecular Formula
C21H28O
SMILES
C=CCCCCC#C/C=C\C=C/CCCC/C=C/C(C#C)O
InChI
InChI=1S/C21H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)4-2/h2-3,11-14,19-22H,1,5-8,15-18H2/b12-11-,14-13-,20-19+
InChIKey
VLYRIXDJTGTRMC-VISODLKASA-N
Compound name
(4E,10Z,12Z)-henicosa-4,10,12,20-tetraen-1,14-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.21402 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.22130 177.9
[M+Na]+ 319.20324 185.0
[M-H]- 295.20674 177.0
[M+NH4]+ 314.24784 187.9
[M+K]+ 335.17718 178.0
[M+H-H2O]+ 279.21128 164.0
[M+HCOO]- 341.21222 184.4
[M+CH3COO]- 355.22787 221.8
[M+Na-2H]- 317.18869 174.9
[M]+ 296.21347 170.7
[M]- 296.21457 170.7
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

No patent data available for this compound.