CID 131752661

2-ethoxy-1-methoxy-4-(1-propenyl)benzene

Structural Information

Molecular Formula
C12H16O2
SMILES
CCOC1=C(C=CC(=C1)/C=C\C)OC
InChI
InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,6-9H,5H2,1-3H3/b6-4-
InChIKey
MEZOHEWMHLQBII-XQRVVYSFSA-N
Compound name
2-ethoxy-1-methoxy-4-[(Z)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.6
[M+Na]+ 215.104258 150.0
[M-H]- 191.107764 145.5
[M+NH4]+ 210.148863 161.9
[M+K]+ 231.078198 148.0
[M+H-H2O]+ 175.112300 135.9
[M+HCOO]- 237.113241 166.0
[M+CH3COO]- 251.128891 185.2
[M+Na-2H]- 213.089706 147.0
[M]+ 192.11449142 145.6
[M]- 192.11558858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.