CID 25810

13256-21-8

Structural Information

Molecular Formula
C5H10N2O3S
SMILES
CN(C1CCS(=O)(=O)C1)N=O
InChI
InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3
InChIKey
PRZXZYVFNZCXQH-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

178.04121 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04849 131.4
[M+Na]+ 201.03043 139.6
[M-H]- 177.03393 138.1
[M+NH4]+ 196.07503 156.2
[M+K]+ 217.00437 140.3
[M+H-H2O]+ 161.03847 126.5
[M+HCOO]- 223.03941 154.7
[M+CH3COO]- 237.05506 184.0
[M+Na-2H]- 199.01588 135.9
[M]+ 178.04066 134.5
[M]- 178.04176 134.5
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.