CID 11389746

4055-72-5

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

14
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

literature stripe

Patent stripe

patents stripe