CID 14292928

1-(3-methoxyphenyl)heptan-1-one

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCCCCC(=O)C1=CC(=CC=C1)OC
InChI
InChI=1S/C14H20O2/c1-3-4-5-6-10-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3
InChIKey
FIRIFBOVXOXLTG-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)heptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

220.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 152.1
[M+Na]+ 243.13555 164.2
[M+NH4]+ 238.18015 160.0
[M+K]+ 259.10949 156.9
[M-H]- 219.13905 154.0
[M+Na-2H]- 241.12100 158.0
[M]+ 220.14578 154.3
[M]- 220.14688 154.3
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

patents stripe