CID 3017612

2-cyclopentylhydroquinone

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1CCC(C1)C2=C(C=CC(=C2)O)O

InChI

InChI=1S/C11H14O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,12-13H,1-4H2

InChIKey

NNTRLPYRNXLYPB-UHFFFAOYSA-N

Compound name

2-cyclopentylbenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 178.09938 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.106656	138.0
[M+Na]+	201.088598	144.8
[M-H]-	177.092104	142.2
[M+NH4]+	196.133203	158.6
[M+K]+	217.062538	141.4
[M+H-H2O]+	161.096640	132.6
[M+HCOO]-	223.097581	158.8
[M+CH3COO]-	237.113231	174.7
[M+Na-2H]-	199.074046	141.0
[M]+	178.09883142	133.9
[M]-	178.09992858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe