CID 388844

Nsc684038

Structural Information

Molecular Formula
C5H4N4OS
SMILES
C1=NC(=C(N1)C(=O)N)SC#N
InChI
InChI=1S/C5H4N4OS/c6-1-11-5-3(4(7)10)8-2-9-5/h2H,(H2,7,10)(H,8,9)
InChIKey
GPINFQBTFXFXNK-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.01057 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01785 136.4
[M+Na]+ 190.99979 146.6
[M-H]- 167.00329 136.1
[M+NH4]+ 186.04439 153.2
[M+K]+ 206.97373 144.4
[M+H-H2O]+ 151.00783 122.8
[M+HCOO]- 213.00877 149.8
[M+CH3COO]- 227.02442 187.5
[M+Na-2H]- 188.98524 137.6
[M]+ 168.01002 130.4
[M]- 168.01112 130.4
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.