CID 137320895

41812-62-8

Structural Information

Molecular Formula
C4H6N4OS
SMILES
C1C(=O)NC(=NC(=N)N)S1
InChI
InChI=1S/C4H6N4OS/c5-3(6)8-4-7-2(9)1-10-4/h1H2,(H4,5,6,7,8,9)
InChIKey
XHXUEDUFPLPHGS-UHFFFAOYSA-N
Compound name
1-(4-oxo-1,3-thiazolidin-2-ylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02623 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03351 130.3
[M+Na]+ 181.01545 136.9
[M-H]- 157.01895 132.3
[M+NH4]+ 176.06005 150.7
[M+K]+ 196.98939 134.4
[M+H-H2O]+ 141.02349 123.7
[M+HCOO]- 203.02443 149.6
[M+CH3COO]- 217.04008 177.8
[M+Na-2H]- 179.00090 132.0
[M]+ 158.02568 124.6
[M]- 158.02678 124.6
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

patents stripe