CID 139585403

1-(2-hydroxy-phenoxy)-trieicos-1-en-3-on

Structural Information

Molecular Formula
C29H48O3
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)/C=C/OC1=CC=CC=C1O
InChI
InChI=1S/C29H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(30)25-26-32-29-24-21-20-23-28(29)31/h20-21,23-26,31H,2-19,22H2,1H3/b26-25+
InChIKey
OECGJWGQWVWZRT-OCEACIFDSA-N
Compound name
(E)-1-(2-hydroxyphenoxy)tricos-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.36035 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.36763 221.8
[M+Na]+ 467.34957 221.2
[M-H]- 443.35307 220.3
[M+NH4]+ 462.39417 230.1
[M+K]+ 483.32351 214.4
[M+H-H2O]+ 427.35761 212.3
[M+HCOO]- 489.35855 238.0
[M+CH3COO]- 503.37420 233.9
[M+Na-2H]- 465.33502 216.8
[M]+ 444.35980 229.5
[M]- 444.36090 229.5
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.