CID 3022615

2,5-dicyclopentylhydroquinone

Structural Information

Molecular Formula
C16H22O2
SMILES
C1CCC(C1)C2=CC(=C(C=C2O)C3CCCC3)O
InChI
InChI=1S/C16H22O2/c17-15-10-14(12-7-3-4-8-12)16(18)9-13(15)11-5-1-2-6-11/h9-12,17-18H,1-8H2
InChIKey
QJIKVNFRJLVHPZ-UHFFFAOYSA-N
Compound name
2,5-dicyclopentylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.169266 158.9
[M+Na]+ 269.151208 163.5
[M-H]- 245.154714 165.7
[M+NH4]+ 264.195813 178.2
[M+K]+ 285.125148 159.1
[M+H-H2O]+ 229.159250 153.0
[M+HCOO]- 291.160191 177.3
[M+CH3COO]- 305.175841 170.0
[M+Na-2H]- 267.136656 156.4
[M]+ 246.16144142 152.5
[M]- 246.16253858 152.5
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

No patent data available for this compound.