CID 129849942

Tricosadienylresorcinol

Structural Information

Molecular Formula
C29H48O2
SMILES
CCCCCCCCCCCCCCCCCCCC=CC=CC1=C(C=CC=C1O)O
InChI
InChI=1S/C29H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-28(30)25-23-26-29(27)31/h20-26,30-31H,2-19H2,1H3
InChIKey
WNJZJSFUSQUXDH-UHFFFAOYSA-N
Compound name
2-tricosa-1,3-dienylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.36542 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.37270 217.6
[M+Na]+ 451.35464 218.0
[M-H]- 427.35814 215.2
[M+NH4]+ 446.39924 226.6
[M+K]+ 467.32858 209.3
[M+H-H2O]+ 411.36268 208.9
[M+HCOO]- 473.36362 233.2
[M+CH3COO]- 487.37927 229.4
[M+Na-2H]- 449.34009 212.8
[M]+ 428.36487 223.1
[M]- 428.36597 223.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.