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]+ 243.07979 155.4
[M+Na]+ 265.06173 162.2
[M-H]- 241.06523 156.8
[M+NH4]+ 260.10633 173.0
[M+K]+ 281.03567 160.1
[M+H-H2O]+ 225.06977 149.5
[M+HCOO]- 287.07071 170.7
[M+CH3COO]- 301.08636 189.3
[M+Na-2H]- 263.04718 155.6
[M]+ 242.07196 157.8
[M]- 242.07306 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.