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]+ 429.372696 217.6
[M+Na]+ 451.354638 218.0
[M-H]- 427.358144 215.2
[M+NH4]+ 446.399243 226.6
[M+K]+ 467.328578 209.3
[M+H-H2O]+ 411.362680 208.9
[M+HCOO]- 473.363621 233.2
[M+CH3COO]- 487.379271 229.4
[M+Na-2H]- 449.340086 212.8
[M]+ 428.36487142 223.1
[M]- 428.36596858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.