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]+ 219.16043 145.3
[M+Na]+ 241.14237 149.9
[M-H]- 217.14587 140.0
[M+NH4]+ 236.18697 169.7
[M+K]+ 257.11631 145.8
[M+H-H2O]+ 201.15041 135.4
[M+HCOO]- 263.15135 152.2
[M+CH3COO]- 277.16700 154.0
[M+Na-2H]- 239.12782 156.4
[M]+ 218.15260 143.9
[M]- 218.15370 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.