CID 323381

1-(1-adamantyl)-1h-imidazole

Structural Information

Molecular Formula
C13H18N2
SMILES
C1C2CC3CC1CC(C2)(C3)N4C=CN=C4
InChI
InChI=1S/C13H18N2/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13/h1-2,9-12H,3-8H2
InChIKey
PJWXDQVZZXNUQF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

89
Patents

202.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 142.7
[M+Na]+ 225.13622 146.2
[M-H]- 201.13972 138.9
[M+NH4]+ 220.18082 167.6
[M+K]+ 241.11016 142.1
[M+H-H2O]+ 185.14426 133.9
[M+HCOO]- 247.14520 150.0
[M+CH3COO]- 261.16085 151.8
[M+Na-2H]- 223.12167 152.5
[M]+ 202.14645 141.8
[M]- 202.14755 141.8
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