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

37
Patents

160.04189 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.049166 130.3
[M+Na]+ 183.031108 141.3
[M-H]- 159.034614 128.1
[M+NH4]+ 178.075713 147.9
[M+K]+ 199.005048 138.5
[M+H-H2O]+ 143.039150 123.1
[M+HCOO]- 205.040091 145.8
[M+CH3COO]- 219.055741 171.3
[M+Na-2H]- 181.016556 133.2
[M]+ 160.04134142 132.5
[M]- 160.04243858 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