CID 3022613

2-cyclopentyl-6-isobutyl-p-cresol

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CC(=C(C(=C1)C2CCCC2)O)CC(C)C
InChI
InChI=1S/C16H24O/c1-11(2)8-14-9-12(3)10-15(16(14)17)13-6-4-5-7-13/h9-11,13,17H,4-8H2,1-3H3
InChIKey
GIAQITHFOGVYNA-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-methyl-6-(2-methylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 157.1
[M+Na]+ 255.171928 162.8
[M-H]- 231.175434 162.2
[M+NH4]+ 250.216533 176.5
[M+K]+ 271.145868 159.1
[M+H-H2O]+ 215.179970 151.1
[M+HCOO]- 277.180911 176.4
[M+CH3COO]- 291.196561 192.4
[M+Na-2H]- 253.157376 155.9
[M]+ 232.18216142 154.9
[M]- 232.18325858 154.9
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.