CID 469190

1,2,5-thiadiazol-3-yl n,n-dimethylcarbamate

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
CN(C)C(=O)OC1=NSN=C1
InChI
InChI=1S/C5H7N3O2S/c1-8(2)5(9)10-4-3-6-11-7-4/h3H,1-2H3
InChIKey
LZORIPHTVQJJHN-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazol-3-yl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

173.0259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03318 133.5
[M+Na]+ 196.01512 142.3
[M-H]- 172.01862 136.7
[M+NH4]+ 191.05972 153.9
[M+K]+ 211.98906 142.8
[M+H-H2O]+ 156.02316 126.4
[M+HCOO]- 218.02410 153.4
[M+CH3COO]- 232.03975 179.5
[M+Na-2H]- 194.00057 136.5
[M]+ 173.02535 137.8
[M]- 173.02645 137.8
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

No patent data available for this compound.