CID 171118596

Rac-eicos-(3z)-en-1-yn-5-ol

Structural Information

Molecular Formula
C20H36O
SMILES
CCCCCCCCCCCCCCCC(/C=C\C#C)O
InChI
InChI=1S/C20H36O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h2,6,18,20-21H,3,5,7-17,19H2,1H3/b18-6-
InChIKey
MFVPISZHYHTRKF-FXBPXSCXSA-N
Compound name
(Z)-icos-3-en-1-yn-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2766 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.28388 174.1
[M+Na]+ 315.26582 178.5
[M-H]- 291.26932 170.7
[M+NH4]+ 310.31042 187.6
[M+K]+ 331.23976 173.0
[M+H-H2O]+ 275.27386 162.1
[M+HCOO]- 337.27480 186.6
[M+CH3COO]- 351.29045 211.7
[M+Na-2H]- 313.25127 172.5
[M]+ 292.27605 172.7
[M]- 292.27715 172.7
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.