CID 51358654

1255785-90-0

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CN(C)C1=NC(=C(S1)C(=O)OC)N
InChI
InChI=1S/C7H11N3O2S/c1-10(2)7-9-5(8)4(13-7)6(11)12-3/h8H2,1-3H3
InChIKey
CVWZNAFMOKXWNX-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-(dimethylamino)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0572 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 142.0
[M+Na]+ 224.04642 150.5
[M-H]- 200.04992 146.2
[M+NH4]+ 219.09102 162.4
[M+K]+ 240.02036 150.0
[M+H-H2O]+ 184.05446 135.3
[M+HCOO]- 246.05540 162.7
[M+CH3COO]- 260.07105 190.1
[M+Na-2H]- 222.03187 142.3
[M]+ 201.05665 145.6
[M]- 201.05775 145.6
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

No patent data available for this compound.