CID 21946540

2-(4-butylcyclohexyl)phenol

Structural Information

Molecular Formula
C16H24O
SMILES
CCCCC1CCC(CC1)C2=CC=CC=C2O
InChI
InChI=1S/C16H24O/c1-2-3-6-13-9-11-14(12-10-13)15-7-4-5-8-16(15)17/h4-5,7-8,13-14,17H,2-3,6,9-12H2,1H3
InChIKey
UMMCLYBGVXLTNC-UHFFFAOYSA-N
Compound name
2-(4-butylcyclohexyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

232.18271 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 156.7
[M+Na]+ 255.171928 160.8
[M-H]- 231.175434 160.9
[M+NH4]+ 250.216533 173.9
[M+K]+ 271.145868 156.7
[M+H-H2O]+ 215.179970 149.7
[M+HCOO]- 277.180911 174.8
[M+CH3COO]- 291.196561 190.8
[M+Na-2H]- 253.157376 158.8
[M]+ 232.18216142 152.5
[M]- 232.18325858 152.5
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