CID 171118594

(3r)-docos-(15z)-en-1-yn-3-ol

Structural Information

Molecular Formula
C22H40O
SMILES
CCCCCC/C=C\CCCCCCCCCCC[C@H](C#C)O
InChI
InChI=1S/C22H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)4-2/h2,9-10,22-23H,3,5-8,11-21H2,1H3/b10-9-/t22-/m0/s1
InChIKey
FEAQSNKVLXILNQ-DYYZXQNHSA-N
Compound name
(Z,3R)-docos-15-en-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.30792 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.31520 181.6
[M+Na]+ 343.29714 185.3
[M-H]- 319.30064 177.9
[M+NH4]+ 338.34174 194.2
[M+K]+ 359.27108 179.4
[M+H-H2O]+ 303.30518 169.3
[M+HCOO]- 365.30612 193.6
[M+CH3COO]- 379.32177 217.1
[M+Na-2H]- 341.28259 179.2
[M]+ 320.30737 181.0
[M]- 320.30847 181.0
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.