CID 20264499

19-(4-hydroxyphenyl)nonadecanoate

Structural Information

Molecular Formula
C25H42O3
SMILES
C1=CC(=CC=C1CCCCCCCCCCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C25H42O3/c26-24-21-19-23(20-22-24)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-25(27)28/h19-22,26H,1-18H2,(H,27,28)
InChIKey
IJOZORVJRYYXLX-UHFFFAOYSA-N
Compound name
19-(4-hydroxyphenyl)nonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.3134 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.320676 205.5
[M+Na]+ 413.302618 205.8
[M-H]- 389.306124 203.4
[M+NH4]+ 408.347223 215.4
[M+K]+ 429.276558 199.7
[M+H-H2O]+ 373.310660 197.0
[M+HCOO]- 435.311601 221.4
[M+CH3COO]- 449.327251 221.1
[M+Na-2H]- 411.288066 202.2
[M]+ 390.31285142 210.7
[M]- 390.31394858 210.7
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.