CID 442700

Dihydropinosylvin

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)CCC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
InChIKey
LDBYHULIXFIJAZ-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

244
Patents

214.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.7
[M+Na]+ 237.08860 154.3
[M-H]- 213.09210 151.1
[M+NH4]+ 232.13320 164.1
[M+K]+ 253.06254 149.7
[M+H-H2O]+ 197.09664 140.2
[M+HCOO]- 259.09758 168.6
[M+CH3COO]- 273.11323 183.3
[M+Na-2H]- 235.07405 152.5
[M]+ 214.09883 145.7
[M]- 214.09993 145.7
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