CID 92349

Eugenol oxide

Structural Information

Molecular Formula
C10H12O3
SMILES
COC1=C(C=CC(=C1)CC2CO2)O
InChI
InChI=1S/C10H12O3/c1-12-10-5-7(2-3-9(10)11)4-8-6-13-8/h2-3,5,8,11H,4,6H2,1H3
InChIKey
WQAPNRUAKQGQLB-UHFFFAOYSA-N
Compound name
2-methoxy-4-(oxiran-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

180.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 134.9
[M+Na]+ 203.06786 145.3
[M-H]- 179.07136 142.6
[M+NH4]+ 198.11246 148.8
[M+K]+ 219.04180 143.9
[M+H-H2O]+ 163.07590 128.6
[M+HCOO]- 225.07684 157.8
[M+CH3COO]- 239.09249 182.0
[M+Na-2H]- 201.05331 142.4
[M]+ 180.07809 140.3
[M]- 180.07919 140.3
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