CID 64516523

3-(4-tert-butylphenyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C16H24O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CCCC(C2)O
InChI
InChI=1S/C16H24O/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13/h7-10,13,15,17H,4-6,11H2,1-3H3
InChIKey
VBAQVFCZCXSCIR-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 156.3
[M+Na]+ 255.17193 161.0
[M-H]- 231.17543 161.0
[M+NH4]+ 250.21653 173.8
[M+K]+ 271.14587 157.5
[M+H-H2O]+ 215.17997 150.1
[M+HCOO]- 277.18091 172.9
[M+CH3COO]- 291.19656 190.5
[M+Na-2H]- 253.15738 159.3
[M]+ 232.18216 151.7
[M]- 232.18326 151.7
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