CID 131752491

2-methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol

Structural Information

Molecular Formula
C22H34O2
SMILES
CCC/C=C/C/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O
InChI
InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5+,9-8-
InChIKey
IZGYQWUVUWZOPQ-NKEWZBFXSA-N
Compound name
2-methyl-5-[(8Z,11E)-pentadeca-8,11-dienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2559 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26318 187.7
[M+Na]+ 353.24512 198.2
[M+NH4]+ 348.28972 193.3
[M+K]+ 369.21906 189.0
[M-H]- 329.24862 188.2
[M+Na-2H]- 351.23057 190.0
[M]+ 330.25535 189.1
[M]- 330.25645 189.1
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.