CID 6454047

2,6-dicyclopentyl-3,5-xylenol

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=CC(=C(C(=C1C2CCCC2)O)C3CCCC3)C
InChI
InChI=1S/C18H26O/c1-12-11-13(2)17(15-9-5-6-10-15)18(19)16(12)14-7-3-4-8-14/h11,14-15,19H,3-10H2,1-2H3
InChIKey
UUJICVPYWDJSSZ-UHFFFAOYSA-N
Compound name
2,6-dicyclopentyl-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.19836 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 164.3
[M+Na]+ 281.187578 169.5
[M-H]- 257.191084 172.5
[M+NH4]+ 276.232183 184.2
[M+K]+ 297.161518 164.8
[M+H-H2O]+ 241.195620 158.2
[M+HCOO]- 303.196561 183.3
[M+CH3COO]- 317.212211 195.4
[M+Na-2H]- 279.173026 160.3
[M]+ 258.19781142 159.3
[M]- 258.19890858 159.3
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