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
1
Annotation Hits

0
References

12
Patents

232.18271 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 156.7
[M+Na]+ 255.17193 160.8
[M-H]- 231.17543 160.9
[M+NH4]+ 250.21653 173.9
[M+K]+ 271.14587 156.7
[M+H-H2O]+ 215.17997 149.7
[M+HCOO]- 277.18091 174.8
[M+CH3COO]- 291.19656 190.8
[M+Na-2H]- 253.15738 158.8
[M]+ 232.18216 152.5
[M]- 232.18326 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