CID 61046

120-11-6

Structural Information

Molecular Formula
C17H18O2
SMILES
CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3
InChIKey
YKSSSKBJDZDZTD-UHFFFAOYSA-N
Compound name
2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

1740
Patents

254.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 158.8
[M+Na]+ 277.11990 166.3
[M-H]- 253.12340 165.5
[M+NH4]+ 272.16450 176.0
[M+K]+ 293.09384 162.3
[M+H-H2O]+ 237.12794 151.1
[M+HCOO]- 299.12888 182.9
[M+CH3COO]- 313.14453 195.9
[M+Na-2H]- 275.10535 163.8
[M]+ 254.13013 161.8
[M]- 254.13123 161.8
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.