CID 11389746

5-allyl-1-methoxy-2,3-dihydroxybenzene

Structural Information

Molecular Formula
C10H12O3
SMILES
COC1=CC(=CC(=C1O)O)CC=C
InChI
InChI=1S/C10H12O3/c1-3-4-7-5-8(11)10(12)9(6-7)13-2/h3,5-6,11-12H,1,4H2,2H3
InChIKey
BHIIRUKUMCZDIB-UHFFFAOYSA-N
Compound name
3-methoxy-5-prop-2-enylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

180.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.2
[M+Na]+ 203.06786 145.3
[M-H]- 179.07136 137.9
[M+NH4]+ 198.11246 155.6
[M+K]+ 219.04180 142.4
[M+H-H2O]+ 163.07590 131.2
[M+HCOO]- 225.07684 158.3
[M+CH3COO]- 239.09249 177.9
[M+Na-2H]- 201.05331 140.9
[M]+ 180.07809 137.5
[M]- 180.07919 137.5
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.