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]+ 173.049166 133.2
[M+Na]+ 195.031108 143.5
[M-H]- 171.034614 134.9
[M+NH4]+ 190.075713 150.5
[M+K]+ 211.005048 142.0
[M+H-H2O]+ 155.039150 126.1
[M+HCOO]- 217.040091 147.4
[M+CH3COO]- 231.055741 146.1
[M+Na-2H]- 193.016556 133.8
[M]+ 172.04134142 132.3
[M]- 172.04243858 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.