CID 1549045

Isoeugenyl methyl ether

Structural Information

Molecular Formula
C11H14O2
SMILES
C/C=C\C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-
InChIKey
NNWHUJCUHAELCL-PLNGDYQASA-N
Compound name
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

50
References

6606
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.9
[M+Na]+ 201.08860 145.7
[M-H]- 177.09210 141.0
[M+NH4]+ 196.13320 157.7
[M+K]+ 217.06254 143.9
[M+H-H2O]+ 161.09664 131.4
[M+HCOO]- 223.09758 161.6
[M+CH3COO]- 237.11323 182.1
[M+Na-2H]- 199.07405 142.8
[M]+ 178.09883 140.5
[M]- 178.09993 140.5
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