CID 13733135

1-(4-hydroxy-3-methoxyphenyl)-3-undecanone

Structural Information

Molecular Formula
C18H28O3
SMILES
CCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(14-15)21-2/h11,13-14,20H,3-10,12H2,1-2H3
InChIKey
CNKCFVAEACZBPL-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

102
Patents

292.20386 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 173.5
[M+Na]+ 315.19308 178.3
[M-H]- 291.19658 174.7
[M+NH4]+ 310.23768 188.6
[M+K]+ 331.16702 174.8
[M+H-H2O]+ 275.20112 166.4
[M+HCOO]- 337.20206 193.4
[M+CH3COO]- 351.21771 204.1
[M+Na-2H]- 313.17853 173.7
[M]+ 292.20331 178.5
[M]- 292.20441 178.5
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.