CID 285286

7784-67-0

Structural Information

Molecular Formula
C12H16O2
SMILES
CCOC1=C(C=C(C=C1)C=CC)OC
InChI
InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3
InChIKey
AOSKXPFBGRLCEG-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methoxy-4-prop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

318
Patents

192.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.6
[M+Na]+ 215.10426 150.0
[M-H]- 191.10776 145.5
[M+NH4]+ 210.14886 161.9
[M+K]+ 231.07820 148.0
[M+H-H2O]+ 175.11230 135.9
[M+HCOO]- 237.11324 166.0
[M+CH3COO]- 251.12889 185.2
[M+Na-2H]- 213.08971 147.0
[M]+ 192.11449 145.6
[M]- 192.11559 145.6
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