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 149.0
[M+Na]+ 239.10426 156.6
[M-H]- 215.10776 151.3
[M+NH4]+ 234.14886 167.4
[M+K]+ 255.07820 152.3
[M+H-H2O]+ 199.11230 143.4
[M+HCOO]- 261.11324 170.6
[M+CH3COO]- 275.12889 187.0
[M+Na-2H]- 237.08971 151.6
[M]+ 216.11449 149.7
[M]- 216.11559 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.