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]+ 202.064476 142.0
[M+Na]+ 224.046418 150.5
[M-H]- 200.049924 146.2
[M+NH4]+ 219.091023 162.4
[M+K]+ 240.020358 150.0
[M+H-H2O]+ 184.054460 135.3
[M+HCOO]- 246.055401 162.7
[M+CH3COO]- 260.071051 190.1
[M+Na-2H]- 222.031866 142.3
[M]+ 201.05665142 145.6
[M]- 201.05774858 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.