CID 15051278

1-(2-methoxyethyl)-1h-1,2,3,4-tetrazole-5-thiol

Structural Information

Molecular Formula
C4H8N4OS
SMILES
COCCN1C(=S)N=NN1
InChI
InChI=1S/C4H8N4OS/c1-9-3-2-8-4(10)5-6-7-8/h2-3H2,1H3,(H,5,7,10)
InChIKey
RCJORFYUGRBTPA-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

160.04189 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04917 130.3
[M+Na]+ 183.03111 141.3
[M-H]- 159.03461 128.1
[M+NH4]+ 178.07571 147.9
[M+K]+ 199.00505 138.5
[M+H-H2O]+ 143.03915 123.1
[M+HCOO]- 205.04009 145.8
[M+CH3COO]- 219.05574 171.3
[M+Na-2H]- 181.01656 133.2
[M]+ 160.04134 132.5
[M]- 160.04244 132.5
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