CID 5282094

5-hydroxyconiferaldehyde

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC(=CC(=C1O)O)/C=C/C=O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-6,12-13H,1H3/b3-2+
InChIKey
IEHPLRVWOHZKCS-NSCUHMNNSA-N
Compound name
(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

600
Patents

194.0579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.9
[M+Na]+ 217.04712 147.2
[M-H]- 193.05062 139.6
[M+NH4]+ 212.09172 156.6
[M+K]+ 233.02106 144.3
[M+H-H2O]+ 177.05516 132.7
[M+HCOO]- 239.05610 160.4
[M+CH3COO]- 253.07175 178.5
[M+Na-2H]- 215.03257 142.6
[M]+ 194.05735 139.9
[M]- 194.05845 139.9
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

patents stripe