CID 3595270

2-[3-(2h-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetohydrazide

Structural Information

Molecular Formula
C13H20N6O
SMILES
C1C2CC3(CC1CC(C2)(C3)N4N=CN=N4)CC(=O)NN
InChI
InChI=1S/C13H20N6O/c14-17-11(20)6-12-2-9-1-10(3-12)5-13(4-9,7-12)19-16-8-15-18-19/h8-10H,1-7,14H2,(H,17,20)
InChIKey
BODJGEZOICZQSL-UHFFFAOYSA-N
Compound name
2-[3-(tetrazol-2-yl)-1-adamantyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.16986 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17714 155.6
[M+Na]+ 299.15908 158.7
[M-H]- 275.16258 148.7
[M+NH4]+ 294.20368 175.8
[M+K]+ 315.13302 155.6
[M+H-H2O]+ 259.16712 145.5
[M+HCOO]- 321.16806 161.2
[M+CH3COO]- 335.18371 162.5
[M+Na-2H]- 297.14453 166.9
[M]+ 276.16931 154.8
[M]- 276.17041 154.8
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

No patent data available for this compound.