CID 13321827

2-(dimethylamino)-2-oxoethyl n-(((methylamino)carbonyl)oxy)ethanimidothioate

Structural Information

Molecular Formula
C8H15N3O3S
SMILES
C/C(=N\OC(=O)NC)/SCC(=O)N(C)C
InChI
InChI=1S/C8H15N3O3S/c1-6(10-14-8(13)9-2)15-5-7(12)11(3)4/h5H2,1-4H3,(H,9,13)/b10-6+
InChIKey
ZMLDHXURHVRVIF-UXBLZVDNSA-N
Compound name
[2-(dimethylamino)-2-oxoethyl] (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09070 153.8
[M+Na]+ 256.07264 158.1
[M-H]- 232.07614 156.6
[M+NH4]+ 251.11724 172.2
[M+K]+ 272.04658 159.2
[M+H-H2O]+ 216.08068 146.4
[M+HCOO]- 278.08162 174.3
[M+CH3COO]- 292.09727 200.4
[M+Na-2H]- 254.05809 153.8
[M]+ 233.08287 158.2
[M]- 233.08397 158.2
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.