CID 23041772

67322-84-3

Structural Information

Molecular Formula
C5H5N3S
SMILES
CC1=C(SC(=N1)N)C#N
InChI
InChI=1S/C5H5N3S/c1-3-4(2-6)9-5(7)8-3/h1H3,(H2,7,8)
InChIKey
ULWHWCKQINGKAY-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

139.02042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.027696 129.2
[M+Na]+ 162.009638 141.2
[M-H]- 138.013144 132.1
[M+NH4]+ 157.054243 149.6
[M+K]+ 177.983578 139.1
[M+H-H2O]+ 122.017680 116.8
[M+HCOO]- 184.018621 145.9
[M+CH3COO]- 198.034271 186.5
[M+Na-2H]- 159.995086 131.4
[M]+ 139.01987142 125.0
[M]- 139.02096858 125.0
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