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]+ 215.084876 147.0
[M+Na]+ 237.066818 154.0
[M-H]- 213.070324 148.1
[M+NH4]+ 232.111423 165.7
[M+K]+ 253.040758 151.2
[M+H-H2O]+ 197.074860 140.5
[M+HCOO]- 259.075801 164.8
[M+CH3COO]- 273.091451 185.2
[M+Na-2H]- 235.052266 147.7
[M]+ 214.07705142 149.6
[M]- 214.07814858 149.6
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.