CID 3022766

6-sec-butyl-2-cyclopentylphenol

Structural Information

Molecular Formula
C15H22O
SMILES
CCC(C)C1=CC=CC(=C1O)C2CCCC2
InChI
InChI=1S/C15H22O/c1-3-11(2)13-9-6-10-14(15(13)16)12-7-4-5-8-12/h6,9-12,16H,3-5,7-8H2,1-2H3
InChIKey
BMHWAWBPZQGJIJ-UHFFFAOYSA-N
Compound name
2-butan-2-yl-6-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.16707 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 153.2
[M+Na]+ 241.156288 158.4
[M-H]- 217.159794 158.1
[M+NH4]+ 236.200893 172.8
[M+K]+ 257.130228 154.9
[M+H-H2O]+ 201.164330 147.1
[M+HCOO]- 263.165271 172.8
[M+CH3COO]- 277.180921 188.2
[M+Na-2H]- 239.141736 153.1
[M]+ 218.16652142 150.2
[M]- 218.16761858 150.2
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