CID 64164

2-thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide

Structural Information

Molecular Formula
C5H10N4O2S
SMILES
C1N2CN3CN1CN(C2)S3(=O)=O
InChI
InChI=1S/C5H10N4O2S/c10-12(11)8-2-6-1-7(4-8)5-9(12)3-6/h1-5H2
InChIKey
GIMJMQVYJORODJ-UHFFFAOYSA-N
Compound name
2lambda6-thia-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.05244 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05972 140.9
[M+Na]+ 213.04166 150.7
[M+NH4]+ 208.08626 151.5
[M+K]+ 229.01560 141.3
[M-H]- 189.04516 135.7
[M+Na-2H]- 211.02711 137.7
[M]+ 190.05189 141.2
[M]- 190.05299 141.2
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

patents stripe