CID 64502

N-methyl-2-(1-adamantyl)imidazole

Structural Information

Molecular Formula
C14H20N2
SMILES
CN1C=CN=C1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H20N2/c1-16-3-2-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h2-3,10-12H,4-9H2,1H3
InChIKey
CBRRJMLAAUIMIX-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

216.16264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 148.5
[M+Na]+ 239.15186 152.4
[M-H]- 215.15536 144.8
[M+NH4]+ 234.19646 173.1
[M+K]+ 255.12580 148.0
[M+H-H2O]+ 199.15990 139.8
[M+HCOO]- 261.16084 155.4
[M+CH3COO]- 275.17649 157.5
[M+Na-2H]- 237.13731 157.0
[M]+ 216.16209 148.2
[M]- 216.16319 148.2
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