CID 19883554

Potassium 2-(1,3-thiazol-2-yl)propanoate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC(C1=NC=CS1)C(=O)O
InChI
InChI=1S/C6H7NO2S/c1-4(6(8)9)5-7-2-3-10-5/h2-4H,1H3,(H,8,9)
InChIKey
HGPIZXJLSUAKDV-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

157.01974 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 131.1
[M+Na]+ 180.00896 139.3
[M-H]- 156.01246 132.7
[M+NH4]+ 175.05356 152.2
[M+K]+ 195.98290 137.9
[M+H-H2O]+ 140.01700 125.6
[M+HCOO]- 202.01794 147.9
[M+CH3COO]- 216.03359 171.1
[M+Na-2H]- 177.99441 132.2
[M]+ 157.01919 132.5
[M]- 157.02029 132.5
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

patents stripe