CID 80713887

1507798-97-1

Structural Information

Molecular Formula
C5H8N4OS
SMILES
C1COCC1N2C(=S)N=NN2
InChI
InChI=1S/C5H8N4OS/c11-5-6-7-8-9(5)4-1-2-10-3-4/h4H,1-3H2,(H,6,8,11)
InChIKey
HFYGMTLUDTWUII-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04189 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04917 133.2
[M+Na]+ 195.03111 143.5
[M-H]- 171.03461 134.9
[M+NH4]+ 190.07571 150.5
[M+K]+ 211.00505 142.0
[M+H-H2O]+ 155.03915 126.1
[M+HCOO]- 217.04009 147.4
[M+CH3COO]- 231.05574 146.1
[M+Na-2H]- 193.01656 133.8
[M]+ 172.04134 132.3
[M]- 172.04244 132.3
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.