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

63
Patents

228.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.5
[M+Na]+ 251.104258 158.4
[M-H]- 227.107764 155.8
[M+NH4]+ 246.148863 168.2
[M+K]+ 267.078198 154.1
[M+H-H2O]+ 211.112300 144.9
[M+HCOO]- 273.113241 172.0
[M+CH3COO]- 287.128891 187.1
[M+Na-2H]- 249.089706 155.5
[M]+ 228.11449142 150.3
[M]- 228.11558858 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