CID 80575349

2126177-30-6

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCN(CC(C)C)C1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C11H18N2O2S/c1-4-13(6-8(2)3)11-12-9(7-16-11)5-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey
STULVPOEMXCCJE-UHFFFAOYSA-N
Compound name
2-[2-[ethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 156.8
[M+Na]+ 265.09812 162.8
[M-H]- 241.10162 159.1
[M+NH4]+ 260.14272 175.0
[M+K]+ 281.07206 161.4
[M+H-H2O]+ 225.10616 149.9
[M+HCOO]- 287.10710 173.3
[M+CH3COO]- 301.12275 195.5
[M+Na-2H]- 263.08357 154.7
[M]+ 242.10835 160.8
[M]- 242.10945 160.8
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.