CID 469191

Chembl292265

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
CC1=NSN=C1OC(=O)N(C)C
InChI
InChI=1S/C6H9N3O2S/c1-4-5(8-12-7-4)11-6(10)9(2)3/h1-3H3
InChIKey
QJMFTAWMXPHJTG-UHFFFAOYSA-N
Compound name
(4-methyl-1,2,5-thiadiazol-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

187.04155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 137.6
[M+Na]+ 210.03077 146.9
[M-H]- 186.03427 141.0
[M+NH4]+ 205.07537 157.8
[M+K]+ 226.00471 147.1
[M+H-H2O]+ 170.03881 130.7
[M+HCOO]- 232.03975 157.2
[M+CH3COO]- 246.05540 183.7
[M+Na-2H]- 208.01622 139.5
[M]+ 187.04100 142.7
[M]- 187.04210 142.7
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.