CID 171118595

Rac-tetracos-(4e,15z)-dien-1-yn-3-ol

Structural Information

Molecular Formula
C24H42O
SMILES
CCCCCCCC/C=C\CCCCCCCCC/C=C/C(C#C)O
InChI
InChI=1S/C24H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)4-2/h2,11-12,22-25H,3,5-10,13-21H2,1H3/b12-11-,23-22+
InChIKey
QGSSUVFLTYTCLK-CVACRVRRSA-N
Compound name
(4E,15Z)-tetracosa-4,15-dien-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.32358 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.33086 189.1
[M+Na]+ 369.31280 192.4
[M-H]- 345.31630 185.1
[M+NH4]+ 364.35740 200.7
[M+K]+ 385.28674 185.4
[M+H-H2O]+ 329.32084 176.5
[M+HCOO]- 391.32178 200.7
[M+CH3COO]- 405.33743 221.0
[M+Na-2H]- 367.29825 185.6
[M]+ 346.32303 188.4
[M]- 346.32413 188.4
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.