CID 3022767

2-cyclopentyl-6-isopropylphenol

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)C1=CC=CC(=C1O)C2CCCC2
InChI
InChI=1S/C14H20O/c1-10(2)12-8-5-9-13(14(12)15)11-6-3-4-7-11/h5,8-11,15H,3-4,6-7H2,1-2H3
InChIKey
QAASULYKVXLJKW-UHFFFAOYSA-N
Compound name
2-cyclopentyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.15141 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 148.5
[M+Na]+ 227.140628 154.2
[M-H]- 203.144134 153.6
[M+NH4]+ 222.185233 168.8
[M+K]+ 243.114568 151.0
[M+H-H2O]+ 187.148670 142.6
[M+HCOO]- 249.149611 168.5
[M+CH3COO]- 263.165261 185.2
[M+Na-2H]- 225.126076 149.0
[M]+ 204.15086142 145.2
[M]- 204.15195858 145.2
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