CID 16775922

926230-38-8

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC(C)(C)C(=O)NC1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C10H14N2O3S/c1-10(2,3)8(15)12-9-11-6(5-16-9)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKey
HTSIMFPNXXBLBQ-UHFFFAOYSA-N
Compound name
2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 155.4
[M+Na]+ 265.061728 162.2
[M-H]- 241.065234 156.8
[M+NH4]+ 260.106333 173.0
[M+K]+ 281.035668 160.1
[M+H-H2O]+ 225.069770 149.5
[M+HCOO]- 287.070711 170.7
[M+CH3COO]- 301.086361 189.3
[M+Na-2H]- 263.047176 155.6
[M]+ 242.07196142 157.8
[M]- 242.07305858 157.8
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.