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

10
Patents

214.04121 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 146.1
[M+Na]+ 237.030428 153.1
[M-H]- 213.033934 147.6
[M+NH4]+ 232.075033 164.5
[M+K]+ 253.004368 151.4
[M+H-H2O]+ 197.038470 139.9
[M+HCOO]- 259.039411 162.5
[M+CH3COO]- 273.055061 184.6
[M+Na-2H]- 235.015876 145.1
[M]+ 214.04066142 147.7
[M]- 214.04175858 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