CID 63080436

1-(1-phenylcyclopentyl)ethan-1-ol

Structural Information

Molecular Formula
C13H18O
SMILES
CC(C1(CCCC1)C2=CC=CC=C2)O
InChI
InChI=1S/C13H18O/c1-11(14)13(9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKey
OLDXGGGHOCSMIT-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclopentyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 145.3
[M+Na]+ 213.12499 150.5
[M-H]- 189.12849 150.2
[M+NH4]+ 208.16959 167.5
[M+K]+ 229.09893 147.7
[M+H-H2O]+ 173.13303 139.6
[M+HCOO]- 235.13397 165.7
[M+CH3COO]- 249.14962 179.5
[M+Na-2H]- 211.11044 148.7
[M]+ 190.13522 141.1
[M]- 190.13632 141.1
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

No patent data available for this compound.