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]+ 177.12740 138.9
[M+Na]+ 199.10934 145.7
[M-H]- 175.11284 144.3
[M+NH4]+ 194.15394 160.3
[M+K]+ 215.08328 142.5
[M+H-H2O]+ 159.11738 133.2
[M+HCOO]- 221.11832 160.6
[M+CH3COO]- 235.13397 178.3
[M+Na-2H]- 197.09479 141.7
[M]+ 176.11957 135.5
[M]- 176.12067 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