CID 3004536

Nsc658309

Structural Information

Molecular Formula
C5H6N4OS
SMILES
C(=C(\C#N)/C(=O)N)\NC(=S)N
InChI
InChI=1S/C5H6N4OS/c6-1-3(4(7)10)2-9-5(8)11/h2H,(H2,7,10)(H3,8,9,11)/b3-2+
InChIKey
NXHLKIPKPWUSOM-NSCUHMNNSA-N
Compound name
(E)-3-(carbamothioylamino)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.02623 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03351 144.3
[M+Na]+ 193.01545 150.9
[M-H]- 169.01895 144.4
[M+NH4]+ 188.06005 161.2
[M+K]+ 208.98939 150.0
[M+H-H2O]+ 153.02349 131.7
[M+HCOO]- 215.02443 158.5
[M+CH3COO]- 229.04008 195.5
[M+Na-2H]- 191.00090 143.3
[M]+ 170.02568 135.2
[M]- 170.02678 135.2
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.