CID 11217752

2-(4-methoxyphenyl)pent-4-en-2-ol

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(CC=C)(C1=CC=C(C=C1)OC)O
InChI
InChI=1S/C12H16O2/c1-4-9-12(2,13)10-5-7-11(14-3)8-6-10/h4-8,13H,1,9H2,2-3H3
InChIKey
IAHNXWMGXSPAHT-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.9
[M+Na]+ 215.10426 150.3
[M-H]- 191.10776 145.3
[M+NH4]+ 210.14886 162.1
[M+K]+ 231.07820 147.7
[M+H-H2O]+ 175.11230 137.8
[M+HCOO]- 237.11324 164.1
[M+CH3COO]- 251.12889 182.4
[M+Na-2H]- 213.08971 149.1
[M]+ 192.11449 144.2
[M]- 192.11559 144.2
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.