CID 9589078

Brn 4808029

Structural Information

Molecular Formula
C6H10N6S
SMILES
CN1C=CN=C1/C=N/NC(=S)NN
InChI
InChI=1S/C6H10N6S/c1-12-3-2-8-5(12)4-9-11-6(13)10-7/h2-4H,7H2,1H3,(H2,10,11,13)/b9-4+
InChIKey
VTNXRTDSWQCXBT-RUDMXATFSA-N
Compound name
1-amino-3-[(E)-(1-methylimidazol-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06877 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07605 140.1
[M+Na]+ 221.05799 147.5
[M-H]- 197.06149 142.6
[M+NH4]+ 216.10259 158.4
[M+K]+ 237.03193 144.8
[M+H-H2O]+ 181.06603 131.7
[M+HCOO]- 243.06697 162.6
[M+CH3COO]- 257.08262 191.6
[M+Na-2H]- 219.04344 143.8
[M]+ 198.06822 138.7
[M]- 198.06932 138.7
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.