CID 139165

1-phenyl-1-cyclopentanol

Structural Information

Molecular Formula
C11H14O
SMILES
C1CCC(C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C11H14O/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKey
ITHZGJVAQFFNCZ-UHFFFAOYSA-N
Compound name
1-phenylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

162.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 135.6
[M+Na]+ 185.093678 142.0
[M-H]- 161.097184 140.8
[M+NH4]+ 180.138283 159.0
[M+K]+ 201.067618 139.2
[M+H-H2O]+ 145.101720 130.2
[M+HCOO]- 207.102661 157.7
[M+CH3COO]- 221.118311 172.6
[M+Na-2H]- 183.079126 141.3
[M]+ 162.10391142 131.4
[M]- 162.10500858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe