CID 62685118

3-aminopyrazine-2-carbothioamide

Structural Information

Molecular Formula
C5H6N4S
SMILES
C1=CN=C(C(=N1)C(=S)N)N
InChI
InChI=1S/C5H6N4S/c6-4-3(5(7)10)8-1-2-9-4/h1-2H,(H2,6,9)(H2,7,10)
InChIKey
VPKQRDCLKGZOEZ-UHFFFAOYSA-N
Compound name
3-aminopyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.03131 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.038586 128.5
[M+Na]+ 177.020528 137.3
[M-H]- 153.024034 129.1
[M+NH4]+ 172.065133 146.4
[M+K]+ 192.994468 133.7
[M+H-H2O]+ 137.028570 121.5
[M+HCOO]- 199.029511 146.3
[M+CH3COO]- 213.045161 178.0
[M+Na-2H]- 175.005976 132.3
[M]+ 154.03076142 125.6
[M]- 154.03185858 125.6
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