CID 138472962

2138212-27-6

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC(C)C(=O)NC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C8H10N2O3S/c1-4(2)6(11)10-8-9-3-5(14-8)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKey
ASSSMQLKODVFDC-UHFFFAOYSA-N
Compound name
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

214.04121 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 146.1
[M+Na]+ 237.03043 153.1
[M-H]- 213.03393 147.6
[M+NH4]+ 232.07503 164.5
[M+K]+ 253.00437 151.4
[M+H-H2O]+ 197.03847 139.9
[M+HCOO]- 259.03941 162.5
[M+CH3COO]- 273.05506 184.6
[M+Na-2H]- 235.01588 145.1
[M]+ 214.04066 147.7
[M]- 214.04176 147.7
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