CID 6454046

2-cyclopentyl-3,5-xylenol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=CC(=C(C(=C1)O)C2CCCC2)C
InChI
InChI=1S/C13H18O/c1-9-7-10(2)13(12(14)8-9)11-5-3-4-6-11/h7-8,11,14H,3-6H2,1-2H3
InChIKey
RNTYAHSBCWZKLS-UHFFFAOYSA-N
Compound name
2-cyclopentyl-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.13577 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 142.9
[M+Na]+ 213.124988 150.3
[M-H]- 189.128494 148.5
[M+NH4]+ 208.169593 164.2
[M+K]+ 229.098928 146.8
[M+H-H2O]+ 173.133030 137.4
[M+HCOO]- 235.133971 164.3
[M+CH3COO]- 249.149621 182.4
[M+Na-2H]- 211.110436 144.6
[M]+ 190.13522142 140.3
[M]- 190.13631858 140.3
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