CID 62685118

2-pyrazinecarbothioamide, 3-amino-

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]+ 155.03859 128.5
[M+Na]+ 177.02053 137.3
[M-H]- 153.02403 129.1
[M+NH4]+ 172.06513 146.4
[M+K]+ 192.99447 133.7
[M+H-H2O]+ 137.02857 121.5
[M+HCOO]- 199.02951 146.3
[M+CH3COO]- 213.04516 178.0
[M+Na-2H]- 175.00598 132.3
[M]+ 154.03076 125.6
[M]- 154.03186 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