CID 2758734

5,7-eicosadiyn-1-ol

Structural Information

Molecular Formula
C20H34O
SMILES
CCCCCCCCCCCCC#CC#CCCCCO
InChI
InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-12,17-20H2,1H3
InChIKey
UIMRCKQWEYSALX-UHFFFAOYSA-N
Compound name
icosa-5,7-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

290.26096 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 169.4
[M+Na]+ 313.250178 176.1
[M-H]- 289.253684 168.4
[M+NH4]+ 308.294783 179.8
[M+K]+ 329.224118 170.8
[M+H-H2O]+ 273.258220 155.5
[M+HCOO]- 335.259161 176.5
[M+CH3COO]- 349.274811 222.4
[M+Na-2H]- 311.235626 168.4
[M]+ 290.26041142 164.5
[M]- 290.26150858 164.5
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

patents stripe