CID 198104

1'-hydroxymethyleugenol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

10
References

20
Patents

194.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.9
[M+Na]+ 217.08352 148.8
[M-H]- 193.08702 143.5
[M+NH4]+ 212.12812 160.1
[M+K]+ 233.05746 147.1
[M+H-H2O]+ 177.09156 135.3
[M+HCOO]- 239.09250 163.2
[M+CH3COO]- 253.10815 183.1
[M+Na-2H]- 215.06897 145.0
[M]+ 194.09375 143.4
[M]- 194.09485 143.4
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