CID 9154871

Sodium 2-{2-[(2-methoxyethyl)amino]-1,3-thiazol-4-yl}acetate

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
COCCNC1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C8H12N2O3S/c1-13-3-2-9-8-10-6(5-14-8)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
XLOILZQZIPBIIS-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05687 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 145.4
[M+Na]+ 239.04609 152.7
[M-H]- 215.04959 146.6
[M+NH4]+ 234.09069 164.0
[M+K]+ 255.02003 150.6
[M+H-H2O]+ 199.05413 138.9
[M+HCOO]- 261.05507 163.8
[M+CH3COO]- 275.07072 184.3
[M+Na-2H]- 237.03154 146.8
[M]+ 216.05632 149.1
[M]- 216.05742 149.1
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

No patent data available for this compound.