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]+ 131.027356 121.7
[M+Na]+ 153.009298 130.2
[M-H]- 129.012804 126.3
[M+NH4]+ 148.053903 137.6
[M+K]+ 168.983238 132.7
[M+H-H2O]+ 113.017340 106.5
[M+HCOO]- 175.018281 137.1
[M+CH3COO]- 189.033931 186.5
[M+Na-2H]- 150.994746 126.7
[M]+ 130.01953142 124.3
[M]- 130.02062858 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.