CID 481673

2-(4-hydroxyphenyl)ethyl nonadecanoate

Structural Information

Molecular Formula
C27H46O3
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)30-24-23-25-19-21-26(28)22-20-25/h19-22,28H,2-18,23-24H2,1H3
InChIKey
XJRRSOWGVGFWMW-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.3447 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.35198 214.7
[M+Na]+ 441.33392 214.7
[M-H]- 417.33742 213.6
[M+NH4]+ 436.37852 224.2
[M+K]+ 457.30786 208.9
[M+H-H2O]+ 401.34196 205.5
[M+HCOO]- 463.34290 231.4
[M+CH3COO]- 477.35855 228.8
[M+Na-2H]- 439.31937 210.7
[M]+ 418.34415 222.4
[M]- 418.34525 222.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.