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

literature stripe

Patent stripe

patents stripe