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]+ 391.32068 205.5
[M+Na]+ 413.30262 205.8
[M-H]- 389.30612 203.4
[M+NH4]+ 408.34722 215.4
[M+K]+ 429.27656 199.7
[M+H-H2O]+ 373.31066 197.0
[M+HCOO]- 435.31160 221.4
[M+CH3COO]- 449.32725 221.1
[M+Na-2H]- 411.28807 202.2
[M]+ 390.31285 210.7
[M]- 390.31395 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.