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]+ 193.122316 142.9
[M+Na]+ 215.104258 150.3
[M-H]- 191.107764 145.3
[M+NH4]+ 210.148863 162.1
[M+K]+ 231.078198 147.7
[M+H-H2O]+ 175.112300 137.8
[M+HCOO]- 237.113241 164.1
[M+CH3COO]- 251.128891 182.4
[M+Na-2H]- 213.089706 149.1
[M]+ 192.11449142 144.2
[M]- 192.11558858 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.