CID 6507093

Brn 1217564

Structural Information

Molecular Formula
C9H17N3O3S2
SMILES
C/C(=N/OC(=O)N(C)SN1CCOCC1)/SC
InChI
InChI=1S/C9H17N3O3S2/c1-8(16-3)10-15-9(13)11(2)17-12-4-6-14-7-5-12/h4-7H2,1-3H3/b10-8-
InChIKey
SISHVWPXUJZTSV-NTMALXAHSA-N
Compound name
methyl (1Z)-N-[methyl(morpholin-4-ylsulfanyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07114 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07842 161.5
[M+Na]+ 302.06036 164.7
[M-H]- 278.06386 165.4
[M+NH4]+ 297.10496 175.7
[M+K]+ 318.03430 164.8
[M+H-H2O]+ 262.06840 153.5
[M+HCOO]- 324.06934 171.5
[M+CH3COO]- 338.08499 202.6
[M+Na-2H]- 300.04581 161.6
[M]+ 279.07059 163.8
[M]- 279.07169 163.8
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.