CID 64479

2-(1-adamantyl)imidazole

Structural Information

Molecular Formula
C13H18N2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NC=CN4
InChI
InChI=1S/C13H18N2/c1-2-15-12(14-1)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-2,9-11H,3-8H2,(H,14,15)
InChIKey
BAMREGSUDFYWTC-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
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 143.0
[M+Na]+ 225.13622 146.3
[M-H]- 201.13972 138.0
[M+NH4]+ 220.18082 167.4
[M+K]+ 241.11016 141.4
[M+H-H2O]+ 185.14426 134.8
[M+HCOO]- 247.14520 149.0
[M+CH3COO]- 261.16085 151.7
[M+Na-2H]- 223.12167 152.6
[M]+ 202.14645 140.6
[M]- 202.14755 140.6
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