CID 10997884

2-allyl-4,5-dimethoxyphenol

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=C(C=C(C(=C1)CC=C)O)OC
InChI
InChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
InChIKey
IHAVVJBEVFMSES-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

194.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 139.9
[M+Na]+ 217.083518 149.1
[M-H]- 193.087024 142.9
[M+NH4]+ 212.128123 159.5
[M+K]+ 233.057458 146.9
[M+H-H2O]+ 177.091560 134.6
[M+HCOO]- 239.092501 163.2
[M+CH3COO]- 253.108151 183.4
[M+Na-2H]- 215.068966 144.6
[M]+ 194.09375142 143.6
[M]- 194.09484858 143.6
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