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]+ 195.16043 143.6
[M+Na]+ 217.14237 150.4
[M-H]- 193.14587 144.0
[M+NH4]+ 212.18697 159.6
[M+K]+ 233.11631 151.3
[M+H-H2O]+ 177.15041 133.9
[M+HCOO]- 239.15135 158.3
[M+CH3COO]- 253.16700 186.2
[M+Na-2H]- 215.12782 149.1
[M]+ 194.15260 139.4
[M]- 194.15370 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.