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 135.1
[M+Na]+ 213.04166 141.7
[M-H]- 189.04516 125.8
[M+NH4]+ 208.08626 157.0
[M+K]+ 229.01560 140.8
[M+H-H2O]+ 173.04970 128.6
[M+HCOO]- 235.05064 136.2
[M+CH3COO]- 249.06629 144.3
[M+Na-2H]- 211.02711 148.2
[M]+ 190.05189 139.6
[M]- 190.05299 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe