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

7
Annotation Hits: 93
References: 2338
Patents: 212.08372 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.09100	145.8
[M+Na]+	235.07294	153.8
[M-H]-	211.07644	150.2
[M+NH4]+	230.11754	163.2
[M+K]+	251.04688	148.6
[M+H-H2O]+	195.08098	139.3
[M+HCOO]-	257.08192	167.9
[M+CH3COO]-	271.09757	181.8
[M+Na-2H]-	233.05839	151.6
[M]+	212.08317	144.0
[M]-	212.08427	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe