CID 85531

2-cyclohexylpropan-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)(C1CCCCC1)O
InChI
InChI=1S/C9H18O/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKey
SSZWOQANOUHNLV-UHFFFAOYSA-N
Compound name
2-cyclohexylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

388
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 132.9
[M+Na]+ 165.12499 142.9
[M+NH4]+ 160.16959 141.9
[M+K]+ 181.09893 137.4
[M-H]- 141.12849 134.2
[M+Na-2H]- 163.11044 137.9
[M]+ 142.13522 134.6
[M]- 142.13632 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe