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
1
Annotation Hits

0
References

82
Patents

446.376 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.38328 223.4
[M+Na]+ 469.36522 222.5
[M-H]- 445.36872 221.9
[M+NH4]+ 464.40982 231.7
[M+K]+ 485.33916 216.3
[M+H-H2O]+ 429.37326 213.8
[M+HCOO]- 491.37420 239.4
[M+CH3COO]- 505.38985 234.6
[M+Na-2H]- 467.35067 218.3
[M]+ 446.37545 231.8
[M]- 446.37655 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