CID 15202

4-cyclopentylphenol

Structural Information

Molecular Formula
C11H14O
SMILES
C1CCC(C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKey
SNBKPVVDUBFDEJ-UHFFFAOYSA-N
Compound name
4-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4024
Patents

162.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 134.7
[M+Na]+ 185.09368 141.1
[M-H]- 161.09718 139.9
[M+NH4]+ 180.13828 156.4
[M+K]+ 201.06762 138.1
[M+H-H2O]+ 145.10172 129.0
[M+HCOO]- 207.10266 156.8
[M+CH3COO]- 221.11831 174.1
[M+Na-2H]- 183.07913 138.8
[M]+ 162.10391 130.6
[M]- 162.10501 130.6
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