CID 3314

Eugenol

Structural Information

Molecular Formula
C10H12O2
SMILES
COC1=C(C=CC(=C1)CC=C)O
InChI
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChIKey
RRAFCDWBNXTKKO-UHFFFAOYSA-N
Compound name
2-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

3917
References

118609
Patents

164.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.8
[M+Na]+ 187.07294 141.6
[M-H]- 163.07644 135.7
[M+NH4]+ 182.11754 153.4
[M+K]+ 203.04688 139.1
[M+H-H2O]+ 147.08098 127.7
[M+HCOO]- 209.08192 156.3
[M+CH3COO]- 223.09757 177.1
[M+Na-2H]- 185.05839 138.8
[M]+ 164.08317 134.3
[M]- 164.08427 134.3
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.