CID 9154867

Potassium 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CCCCNC1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C9H14N2O2S/c1-2-3-4-10-9-11-7(6-14-9)5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKey
WBSQVCGMIYTJFR-UHFFFAOYSA-N
Compound name
2-[2-(butylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 148.2
[M+Na]+ 237.06682 156.4
[M+NH4]+ 232.11142 155.0
[M+K]+ 253.04076 151.5
[M-H]- 213.07032 148.1
[M+Na-2H]- 235.05227 151.0
[M]+ 214.07705 149.4
[M]- 214.07815 149.4
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.