CID 96201

788-57-8

Structural Information

Molecular Formula
C17H18O2
SMILES
C1CCC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H18O2/c18-15-7-3-13(4-8-15)17(11-1-2-12-17)14-5-9-16(19)10-6-14/h3-10,18-19H,1-2,11-12H2
InChIKey
OVVCSFQRAXVPGT-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)cyclopentyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8673
Patents

254.13068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.1
[M+Na]+ 277.11990 165.7
[M-H]- 253.12340 166.4
[M+NH4]+ 272.16450 178.1
[M+K]+ 293.09384 160.4
[M+H-H2O]+ 237.12794 152.3
[M+HCOO]- 299.12888 179.3
[M+CH3COO]- 313.14453 170.8
[M+Na-2H]- 275.10535 162.1
[M]+ 254.13013 154.9
[M]- 254.13123 154.9
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