CID 13923401

Docosyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C29H50O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C29H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-32-29(31)27-22-24-28(30)25-23-27/h22-25,30H,2-21,26H2,1H3
InChIKey
RGJOGVBIFBEFMC-UHFFFAOYSA-N
Compound name
docosyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

446.376 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.383276 223.4
[M+Na]+ 469.365218 222.5
[M-H]- 445.368724 221.9
[M+NH4]+ 464.409823 231.7
[M+K]+ 485.339158 216.3
[M+H-H2O]+ 429.373260 213.8
[M+HCOO]- 491.374201 239.4
[M+CH3COO]- 505.389851 234.6
[M+Na-2H]- 467.350666 218.3
[M]+ 446.37545142 231.8
[M]- 446.37654858 231.8
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

patents stripe