CID 45791303

3-(1h-1,2,4-triazol-1-yl)-1-adamantanamine

Structural Information

Molecular Formula
C12H18N4
SMILES
C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)N
InChI
InChI=1S/C12H18N4/c13-11-2-9-1-10(3-11)5-12(4-9,6-11)16-8-14-7-15-16/h7-10H,1-6,13H2
InChIKey
MEBRHDOGOQBNLX-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 145.3
[M+Na]+ 241.142368 149.9
[M-H]- 217.145874 140.0
[M+NH4]+ 236.186973 169.7
[M+K]+ 257.116308 145.8
[M+H-H2O]+ 201.150410 135.4
[M+HCOO]- 263.151351 152.2
[M+CH3COO]- 277.167001 154.0
[M+Na-2H]- 239.127816 156.4
[M]+ 218.15260142 143.9
[M]- 218.15369858 143.9
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.