CID 84091126

2-(adamantan-1-yl)-2-(2h-1,2,3,4-tetrazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H21N5
SMILES
C1C2CC3CC1CC(C2)(C3)C(CN)C4=NNN=N4
InChI
InChI=1S/C13H21N5/c14-7-11(12-15-17-18-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16,17,18)
InChIKey
YVRJJORZPPLZOE-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-2-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.1797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18698 156.7
[M+Na]+ 270.16892 164.7
[M+NH4]+ 265.21352 167.3
[M+K]+ 286.14286 158.4
[M-H]- 246.17242 153.8
[M+Na-2H]- 268.15437 153.7
[M]+ 247.17915 156.8
[M]- 247.18025 156.8
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.