CID 146050130

2413900-26-0

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1C(CS1(=N)=O)C#N
InChI
InChI=1S/C4H6N2OS/c5-1-4-2-8(6,7)3-4/h4,6H,2-3H2
InChIKey
DXBJSPPXANBLAT-UHFFFAOYSA-N
Compound name
1-imino-1-oxothietane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.02008 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 121.7
[M+Na]+ 153.00930 130.2
[M-H]- 129.01280 126.3
[M+NH4]+ 148.05390 137.6
[M+K]+ 168.98324 132.7
[M+H-H2O]+ 113.01734 106.5
[M+HCOO]- 175.01828 137.1
[M+CH3COO]- 189.03393 186.5
[M+Na-2H]- 150.99475 126.7
[M]+ 130.01953 124.3
[M]- 130.02063 124.3
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.