CID 1713887

22934-51-6

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC(=CC(=C1O)C=O)CC=C
InChI
InChI=1S/C11H12O3/c1-3-4-8-5-9(7-12)11(13)10(6-8)14-2/h3,5-7,13H,1,4H2,2H3
InChIKey
FDHXEIOBIOVBEN-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-5-prop-2-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

192.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.4
[M+Na]+ 215.06786 147.8
[M-H]- 191.07136 141.4
[M+NH4]+ 210.11246 157.9
[M+K]+ 231.04180 145.0
[M+H-H2O]+ 175.07590 133.1
[M+HCOO]- 237.07684 161.9
[M+CH3COO]- 251.09249 182.6
[M+Na-2H]- 213.05331 143.1
[M]+ 192.07809 141.3
[M]- 192.07919 141.3
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