CID 5473050

Pinostilbene

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
InChIKey
KUWZXOMQXYWKBS-NSCUHMNNSA-N
Compound name
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

305
Patents

242.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.7
[M+Na]+ 265.08352 169.2
[M+NH4]+ 260.12812 162.5
[M+K]+ 281.05746 161.8
[M-H]- 241.08702 158.2
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.8
[M]- 242.09485 157.8
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