CID 2760650

2-(4-methylphenyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC=C(C=C1)C2CCCC2O
InChI
InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11-3-2-4-12(11)13/h5-8,11-13H,2-4H2,1H3
InChIKey
NCTLUXMEQFNRRT-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.9
[M+Na]+ 199.109338 145.7
[M-H]- 175.112844 144.3
[M+NH4]+ 194.153943 160.3
[M+K]+ 215.083278 142.5
[M+H-H2O]+ 159.117380 133.2
[M+HCOO]- 221.118321 160.6
[M+CH3COO]- 235.133971 178.3
[M+Na-2H]- 197.094786 141.7
[M]+ 176.11957142 135.5
[M]- 176.12066858 135.5
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