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]+ 217.122316 149.0
[M+Na]+ 239.104258 156.6
[M-H]- 215.107764 151.3
[M+NH4]+ 234.148863 167.4
[M+K]+ 255.078198 152.3
[M+H-H2O]+ 199.112300 143.4
[M+HCOO]- 261.113241 170.6
[M+CH3COO]- 275.128891 187.0
[M+Na-2H]- 237.089706 151.6
[M]+ 216.11449142 149.7
[M]- 216.11558858 149.7
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.