CID 18459633

Resorcinol compound 17

Structural Information

Molecular Formula
C15H16O2
SMILES
CC(CC1=CC=CC=C1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H16O2/c1-11(9-12-5-3-2-4-6-12)14-8-7-13(16)10-15(14)17/h2-8,10-11,16-17H,9H2,1H3
InChIKey
NGQMLDWNBTVAAC-UHFFFAOYSA-N
Compound name
4-(1-phenylpropan-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

228.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 152.4
[M+Na]+ 251.10426 166.6
[M+NH4]+ 246.14886 161.0
[M+K]+ 267.07820 159.4
[M-H]- 227.10776 156.5
[M+Na-2H]- 249.08971 161.0
[M]+ 228.11449 155.7
[M]- 228.11559 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe