CID 6450240

Obtustyrene

Structural Information

Molecular Formula
C16H16O2
SMILES
COC1=C(C=CC(=C1)O)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+
InChIKey
ZAGLUIIUOWEVEN-VMPITWQZSA-N
Compound name
3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

240.11504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.8
[M+Na]+ 263.10426 170.8
[M+NH4]+ 258.14886 164.4
[M+K]+ 279.07820 162.1
[M-H]- 239.10776 160.3
[M+Na-2H]- 261.08971 165.0
[M]+ 240.11449 159.3
[M]- 240.11559 159.3
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