CID 9154871

2126162-38-5

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 147.0
[M+Na]+ 239.04609 155.0
[M+NH4]+ 234.09069 153.4
[M+K]+ 255.02003 150.8
[M-H]- 215.04959 146.5
[M+Na-2H]- 237.03154 149.6
[M]+ 216.05632 148.0
[M]- 216.05742 148.0
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

No patent data available for this compound.