CID 284630

1-(1-adamantyl)-5-methyl-1h-tetraazole

Structural Information

Molecular Formula
C12H18N4
SMILES
CC1=NN=NN1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C12H18N4/c1-8-13-14-15-16(8)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChIKey
UQVSTUMZYIFLBP-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-5-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 147.7
[M+Na]+ 241.14237 152.5
[M-H]- 217.14587 141.5
[M+NH4]+ 236.18697 169.5
[M+K]+ 257.11631 148.8
[M+H-H2O]+ 201.15041 137.5
[M+HCOO]- 263.15135 152.8
[M+CH3COO]- 277.16700 156.1
[M+Na-2H]- 239.12782 157.1
[M]+ 218.15260 148.0
[M]- 218.15370 148.0
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.