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 153.1
[M+Na]+ 270.16892 155.3
[M-H]- 246.17242 144.7
[M+NH4]+ 265.21352 172.3
[M+K]+ 286.14286 151.1
[M+H-H2O]+ 230.17696 143.6
[M+HCOO]- 292.17790 156.0
[M+CH3COO]- 306.19355 159.5
[M+Na-2H]- 268.15437 161.8
[M]+ 247.17915 150.1
[M]- 247.18025 150.1
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.