CID 122421212

5-tricosenylresorcinol

Structural Information

Molecular Formula
C29H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCC/C=C/C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h22-26,30-31H,2-21H2,1H3/b23-22+
InChIKey
MCDSNVQSEUOTPK-GHVJWSGMSA-N
Compound name
5-[(E)-tricos-1-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

430.38107 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.38835 218.9
[M+Na]+ 453.37029 218.9
[M-H]- 429.37379 216.4
[M+NH4]+ 448.41489 227.7
[M+K]+ 469.34423 210.8
[M+H-H2O]+ 413.37833 210.0
[M+HCOO]- 475.37927 234.2
[M+CH3COO]- 489.39492 230.7
[M+Na-2H]- 451.35574 214.0
[M]+ 430.38052 225.1
[M]- 430.38162 225.1
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.