CID 44146727

Einecs 299-530-5

Structural Information

Molecular Formula
C28H38O2
SMILES
CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C3CCCC3)C)C(C)C)O)C4CCCC4
InChI
InChI=1S/C28H38O2/c1-17(2)26(24-15-18(3)13-22(27(24)29)20-9-5-6-10-20)25-16-19(4)14-23(28(25)30)21-11-7-8-12-21/h13-17,20-21,26,29-30H,5-12H2,1-4H3
InChIKey
SHCZVYJBDXJGSZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-6-[1-(3-cyclopentyl-2-hydroxy-5-methylphenyl)-2-methylpropyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.28717 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.29445 204.3
[M+Na]+ 429.27639 206.7
[M-H]- 405.27989 214.0
[M+NH4]+ 424.32099 217.2
[M+K]+ 445.25033 200.6
[M+H-H2O]+ 389.28443 197.0
[M+HCOO]- 451.28537 217.8
[M+CH3COO]- 465.30102 224.8
[M+Na-2H]- 427.26184 193.3
[M]+ 406.28662 199.4
[M]- 406.28772 199.4
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

No patent data available for this compound.