CID 9570653

4-(o-(methylcarbamoyl)oximino)-1,3-dithiolane

Structural Information

Molecular Formula
C5H8N2O2S2
SMILES
CNC(=O)O/N=C/1\CSCS1
InChI
InChI=1S/C5H8N2O2S2/c1-6-5(8)9-7-4-2-10-3-11-4/h2-3H2,1H3,(H,6,8)/b7-4+
InChIKey
FJNLLRZFYQFQHJ-QPJJXVBHSA-N
Compound name
[(E)-1,3-dithiolan-4-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.00272 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01000 138.8
[M+Na]+ 214.99194 145.1
[M-H]- 190.99544 143.1
[M+NH4]+ 210.03654 160.4
[M+K]+ 230.96588 143.2
[M+H-H2O]+ 174.99998 132.6
[M+HCOO]- 237.00092 154.2
[M+CH3COO]- 251.01657 182.2
[M+Na-2H]- 212.97739 139.6
[M]+ 192.00217 139.1
[M]- 192.00327 139.1
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.