CID 6443694

3-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propenal

Structural Information

Molecular Formula
C14H16O2
SMILES
CC(=CCC1=C(C=CC(=C1)/C=C/C=O)O)C
InChI
InChI=1S/C14H16O2/c1-11(2)5-7-13-10-12(4-3-9-15)6-8-14(13)16/h3-6,8-10,16H,7H2,1-2H3/b4-3+
InChIKey
FNDJBOATFIWAJR-ONEGZZNKSA-N
Compound name
(E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

216.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 151.0
[M+Na]+ 239.10426 163.1
[M+NH4]+ 234.14886 158.0
[M+K]+ 255.07820 156.0
[M-H]- 215.10776 151.8
[M+Na-2H]- 237.08971 155.8
[M]+ 216.11449 152.7
[M]- 216.11559 152.7
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.