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]+ 331.263176 186.7
[M+Na]+ 353.245118 191.2
[M-H]- 329.248624 186.2
[M+NH4]+ 348.289723 200.1
[M+K]+ 369.219058 184.2
[M+H-H2O]+ 313.253160 179.7
[M+HCOO]- 375.254101 204.7
[M+CH3COO]- 389.269751 209.8
[M+Na-2H]- 351.230566 184.9
[M]+ 330.25535142 190.1
[M]- 330.25644858 190.1
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.