CID 5276205

Chembl4459358

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)O
InChI
InChI=1S/C15H22N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-14,18H,3-9H2
InChIKey
CPYRWQXGEGGVIE-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

246.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 156.0
[M+Na]+ 269.16244 157.7
[M-H]- 245.16594 150.4
[M+NH4]+ 264.20704 178.3
[M+K]+ 285.13638 153.6
[M+H-H2O]+ 229.17048 147.7
[M+HCOO]- 291.17142 160.2
[M+CH3COO]- 305.18707 163.3
[M+Na-2H]- 267.14789 163.6
[M]+ 246.17267 154.9
[M]- 246.17377 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.