CID 20264585

17-(4-hydroxyphenyl)heptadecanoate

Structural Information

Molecular Formula
C23H38O3
SMILES
C1=CC(=CC=C1CCCCCCCCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C23H38O3/c24-22-19-17-21(18-20-22)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23(25)26/h17-20,24H,1-16H2,(H,25,26)
InChIKey
KGNHPHVILCBASG-UHFFFAOYSA-N
Compound name
17-(4-hydroxyphenyl)heptadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.2821 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 196.7
[M+Na]+ 385.27132 198.0
[M-H]- 361.27482 195.1
[M+NH4]+ 380.31592 207.8
[M+K]+ 401.24526 192.3
[M+H-H2O]+ 345.27936 188.6
[M+HCOO]- 407.28030 213.3
[M+CH3COO]- 421.29595 215.2
[M+Na-2H]- 383.25677 194.4
[M]+ 362.28155 201.3
[M]- 362.28265 201.3
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.