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

65
Patents

290.26096 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 169.4
[M+Na]+ 313.25018 176.1
[M-H]- 289.25368 168.4
[M+NH4]+ 308.29478 179.8
[M+K]+ 329.22412 170.8
[M+H-H2O]+ 273.25822 155.5
[M+HCOO]- 335.25916 176.5
[M+CH3COO]- 349.27481 222.4
[M+Na-2H]- 311.23563 168.4
[M]+ 290.26041 164.5
[M]- 290.26151 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