CID 21777853

(9z,11z)-henicosa-1,9,11-trien-7,20-diyne-3,19-diol

Structural Information

Molecular Formula
C21H30O2
SMILES
C=CC(CCCC#C/C=C\C=C/CCCCCCC(C#C)O)O
InChI
InChI=1S/C21H30O2/c1-3-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(23)4-2/h1,4-7,9,20-23H,2,8,10,12,14-19H2/b6-5-,9-7-
InChIKey
ZBYBSIUFGLWXSW-LZWBOMALSA-N
Compound name
(9Z,11Z)-henicosa-1,9,11-trien-7,20-diyne-3,19-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 181.6
[M+Na]+ 337.21380 187.9
[M-H]- 313.21730 179.8
[M+NH4]+ 332.25840 190.6
[M+K]+ 353.18774 181.7
[M+H-H2O]+ 297.22184 167.7
[M+HCOO]- 359.22278 186.5
[M+CH3COO]- 373.23843 222.8
[M+Na-2H]- 335.19925 177.4
[M]+ 314.22403 174.1
[M]- 314.22513 174.1
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.