CID 109981

68298-25-9

Structural Information

Molecular Formula
C5H10N2S
SMILES
C/C=C/CSC(=N)N
InChI
InChI=1S/C5H10N2S/c1-2-3-4-8-5(6)7/h2-3H,4H2,1H3,(H3,6,7)/b3-2+
InChIKey
WKFPUIFTJXBUJB-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl] carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.05647 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.063746 127.0
[M+Na]+ 153.045688 133.3
[M-H]- 129.049194 126.9
[M+NH4]+ 148.090293 148.6
[M+K]+ 169.019628 130.8
[M+H-H2O]+ 113.053730 121.6
[M+HCOO]- 175.054671 146.0
[M+CH3COO]- 189.070321 174.6
[M+Na-2H]- 151.031136 129.2
[M]+ 130.05592142 124.9
[M]- 130.05701858 124.9
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.