CID 67744454

(4-cyclopentylphenyl)methanol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(C1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C12H16O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13H,1-4,9H2
InChIKey
PZGLKTNENAARJU-UHFFFAOYSA-N
Compound name
(4-cyclopentylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.3
[M+Na]+ 199.10934 152.2
[M+NH4]+ 194.15394 150.1
[M+K]+ 215.08328 146.6
[M-H]- 175.11284 144.3
[M+Na-2H]- 197.09479 147.6
[M]+ 176.11957 143.1
[M]- 176.12067 143.1
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

patents stripe