CID 3022768

6-tert-butyl-2-cyclopentylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 152.6
[M+Na]+ 241.156288 158.7
[M-H]- 217.159794 157.8
[M+NH4]+ 236.200893 172.6
[M+K]+ 257.130228 155.2
[M+H-H2O]+ 201.164330 147.2
[M+HCOO]- 263.165271 171.7
[M+CH3COO]- 277.180921 187.0
[M+Na-2H]- 239.141736 154.7
[M]+ 218.16652142 149.8
[M]- 218.16761858 149.8
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