CID 819555

52603-48-2

Structural Information

Molecular Formula
C7H5N3S
SMILES
CC1=C(SC(=C1C#N)N)C#N
InChI
InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
InChIKey
GCSCENSWKWQJQG-UHFFFAOYSA-N
Compound name
5-amino-3-methylthiophene-2,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

209
Patents

163.02042 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.027696 154.1
[M+Na]+ 186.009638 165.7
[M-H]- 162.013144 158.9
[M+NH4]+ 181.054243 169.5
[M+K]+ 201.983578 163.1
[M+H-H2O]+ 146.017680 139.6
[M+HCOO]- 208.018621 164.7
[M+CH3COO]- 222.034271 212.9
[M+Na-2H]- 183.995086 153.2
[M]+ 163.01987142 147.1
[M]- 163.02096858 147.1
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