CID 74283

1-(4-methoxyphenyl)pentan-1-one

Structural Information

Molecular Formula
C12H16O2
SMILES
CCCCC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H16O2/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9H,3-5H2,1-2H3
InChIKey
HNHLNYCFOLMJHR-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

192.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.5
[M+Na]+ 215.10426 149.6
[M-H]- 191.10776 146.1
[M+NH4]+ 210.14886 162.3
[M+K]+ 231.07820 148.0
[M+H-H2O]+ 175.11230 136.5
[M+HCOO]- 237.11324 165.8
[M+CH3COO]- 251.12889 185.5
[M+Na-2H]- 213.08971 147.3
[M]+ 192.11449 145.5
[M]- 192.11559 145.5
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

patents stripe