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

70
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 151.5
[M+Na]+ 251.10426 158.4
[M-H]- 227.10776 155.8
[M+NH4]+ 246.14886 168.2
[M+K]+ 267.07820 154.1
[M+H-H2O]+ 211.11230 144.9
[M+HCOO]- 273.11324 172.0
[M+CH3COO]- 287.12889 187.1
[M+Na-2H]- 249.08971 155.5
[M]+ 228.11449 150.3
[M]- 228.11559 150.3
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