CID 80570673

Lithium 2-[(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
COCCNC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C7H10N2O3S/c1-12-3-2-8-7-9-4-5(13-7)6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKey
UQICYIQGYMVBSH-UHFFFAOYSA-N
Compound name
2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04121 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 141.0
[M+Na]+ 225.03043 148.8
[M-H]- 201.03393 142.4
[M+NH4]+ 220.07503 160.2
[M+K]+ 241.00437 146.9
[M+H-H2O]+ 185.03847 134.7
[M+HCOO]- 247.03941 159.7
[M+CH3COO]- 261.05506 181.3
[M+Na-2H]- 223.01588 142.8
[M]+ 202.04066 144.3
[M]- 202.04176 144.3
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.