CID 5280457

Pinosylvin

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKey
YCVPRTHEGLPYPB-VOTSOKGWSA-N
Compound name
5-[(E)-2-phenylethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

93
References

1689
Patents

212.08372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 147.2
[M+Na]+ 235.07294 162.0
[M+NH4]+ 230.11754 155.8
[M+K]+ 251.04688 154.2
[M-H]- 211.07644 151.2
[M+Na-2H]- 233.05839 156.3
[M]+ 212.08317 150.5
[M]- 212.08427 150.5
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