CID 9570656

2-(o-(carbamoyl)oximino)-1,4-dithiane

Structural Information

Molecular Formula
C5H8N2O2S2
SMILES
C1CS/C(=N/OC(=O)N)/CS1
InChI
InChI=1S/C5H8N2O2S2/c6-5(8)9-7-4-3-10-1-2-11-4/h1-3H2,(H2,6,8)/b7-4+
InChIKey
GUQTXYUAOYKQLY-QPJJXVBHSA-N
Compound name
[(E)-1,4-dithian-2-ylideneamino] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.00272 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01000 136.2
[M+Na]+ 214.99194 141.0
[M-H]- 190.99544 139.3
[M+NH4]+ 210.03654 155.3
[M+K]+ 230.96588 138.4
[M+H-H2O]+ 174.99998 129.7
[M+HCOO]- 237.00092 148.8
[M+CH3COO]- 251.01657 182.6
[M+Na-2H]- 212.97739 137.5
[M]+ 192.00217 133.3
[M]- 192.00327 133.3
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.