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 139.4
[M+Na]+ 199.10934 145.3
[M-H]- 175.11284 144.3
[M+NH4]+ 194.15394 160.5
[M+K]+ 215.08328 142.1
[M+H-H2O]+ 159.11738 133.4
[M+HCOO]- 221.11832 161.1
[M+CH3COO]- 235.13397 177.2
[M+Na-2H]- 197.09479 142.9
[M]+ 176.11957 135.6
[M]- 176.12067 135.6
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