CID 104362

2,4-dicyclopentylphenol

Structural Information

Molecular Formula
C16H22O
SMILES
C1CCC(C1)C2=CC(=C(C=C2)O)C3CCCC3
InChI
InChI=1S/C16H22O/c17-16-10-9-14(12-5-1-2-6-12)11-15(16)13-7-3-4-8-13/h9-13,17H,1-8H2
InChIKey
IGXUCIAXEPFJAX-UHFFFAOYSA-N
Compound name
2,4-dicyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

230.16707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.174346 156.0
[M+Na]+ 253.156288 160.2
[M-H]- 229.159794 163.7
[M+NH4]+ 248.200893 176.3
[M+K]+ 269.130228 156.0
[M+H-H2O]+ 213.164330 149.5
[M+HCOO]- 275.165271 175.6
[M+CH3COO]- 289.180921 167.5
[M+Na-2H]- 251.141736 154.3
[M]+ 230.16652142 149.4
[M]- 230.16761858 149.4
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