CID 45791302

3-(5-methyl-2h-tetrazol-2-yl)-1-adamantanamine

Structural Information

Molecular Formula
C12H19N5
SMILES
CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)N
InChI
InChI=1S/C12H19N5/c1-8-14-16-17(15-8)12-5-9-2-10(6-12)4-11(13,3-9)7-12/h9-10H,2-7,13H2,1H3
InChIKey
CCEPUWOMZAMMPD-UHFFFAOYSA-N
Compound name
3-(5-methyltetrazol-2-yl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.16405 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.17133 150.7
[M+Na]+ 256.15327 156.1
[M-H]- 232.15677 144.3
[M+NH4]+ 251.19787 173.4
[M+K]+ 272.12721 152.1
[M+H-H2O]+ 216.16131 140.3
[M+HCOO]- 278.16225 156.2
[M+CH3COO]- 292.17790 158.8
[M+Na-2H]- 254.13872 161.0
[M]+ 233.16350 150.2
[M]- 233.16460 150.2
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.