CID 71580865

Isomagnaldehyde

Structural Information

Molecular Formula
C16H14O3
SMILES
C=CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=O)O
InChI
InChI=1S/C16H14O3/c1-2-3-12-4-7-14(8-5-12)19-16-9-6-13(11-17)10-15(16)18/h2,4-11,18H,1,3H2
InChIKey
NULLTEXOKIQKBN-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(4-prop-2-enylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

254.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 155.9
[M+Na]+ 277.08352 164.5
[M-H]- 253.08702 161.7
[M+NH4]+ 272.12812 172.4
[M+K]+ 293.05746 159.8
[M+H-H2O]+ 237.09156 148.7
[M+HCOO]- 299.09250 179.2
[M+CH3COO]- 313.10815 193.4
[M+Na-2H]- 275.06897 160.4
[M]+ 254.09375 157.9
[M]- 254.09485 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.