CID 171118599

(5s)-19-methyleicos-(3z)-en-1-yn-5-ol

Structural Information

Molecular Formula
C21H38O
SMILES
CC(C)CCCCCCCCCCCCC[C@@H](/C=C\C#C)O
InChI
InChI=1S/C21H38O/c1-4-5-18-21(22)19-16-14-12-10-8-6-7-9-11-13-15-17-20(2)3/h1,5,18,20-22H,6-17,19H2,2-3H3/b18-5-/t21-/m1/s1
InChIKey
QVVZWDPMUWFKLC-OJADOOIQSA-N
Compound name
(Z,5S)-19-methylicos-3-en-1-yn-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.29227 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.29955 179.4
[M+Na]+ 329.28149 183.2
[M-H]- 305.28499 175.9
[M+NH4]+ 324.32609 192.4
[M+K]+ 345.25543 177.9
[M+H-H2O]+ 289.28953 167.3
[M+HCOO]- 351.29047 190.7
[M+CH3COO]- 365.30612 215.1
[M+Na-2H]- 327.26694 176.1
[M]+ 306.29172 177.7
[M]- 306.29282 177.7
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.