CID 20541332

1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=CN=C4
InChI
InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
InChIKey
BBCQJSMDKDHVKG-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

244.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.6
[M+Na]+ 267.14678 156.8
[M-H]- 243.15028 150.2
[M+NH4]+ 262.19138 177.5
[M+K]+ 283.12072 152.9
[M+H-H2O]+ 227.15482 145.8
[M+HCOO]- 289.15576 160.4
[M+CH3COO]- 303.17141 162.5
[M+Na-2H]- 265.13223 162.4
[M]+ 244.15701 154.4
[M]- 244.15811 154.4
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