CID 213208

Brn 0517370

Structural Information

Molecular Formula
C10H18N4
SMILES
CC(C)(C)C1CCCN2C(=NN=N2)C1
InChI
InChI=1S/C10H18N4/c1-10(2,3)8-5-4-6-14-9(7-8)11-12-13-14/h8H,4-7H2,1-3H3
InChIKey
ZSARBOOUMHEGPV-UHFFFAOYSA-N
Compound name
8-tert-butyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.15315 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.160426 143.6
[M+Na]+ 217.142368 150.4
[M-H]- 193.145874 144.0
[M+NH4]+ 212.186973 159.6
[M+K]+ 233.116308 151.3
[M+H-H2O]+ 177.150410 133.9
[M+HCOO]- 239.151351 158.3
[M+CH3COO]- 253.167001 186.2
[M+Na-2H]- 215.127816 149.1
[M]+ 194.15260142 139.4
[M]- 194.15369858 139.4
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.