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]+ 247.16927 158.9
[M+Na]+ 269.15121 163.5
[M-H]- 245.15471 165.7
[M+NH4]+ 264.19581 178.2
[M+K]+ 285.12515 159.1
[M+H-H2O]+ 229.15925 153.0
[M+HCOO]- 291.16019 177.3
[M+CH3COO]- 305.17584 170.0
[M+Na-2H]- 267.13666 156.4
[M]+ 246.16144 152.5
[M]- 246.16254 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.