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]+ 243.116176 156.8
[M+Na]+ 265.098118 162.8
[M-H]- 241.101624 159.1
[M+NH4]+ 260.142723 175.0
[M+K]+ 281.072058 161.4
[M+H-H2O]+ 225.106160 149.9
[M+HCOO]- 287.107101 173.3
[M+CH3COO]- 301.122751 195.5
[M+Na-2H]- 263.083566 154.7
[M]+ 242.10835142 160.8
[M]- 242.10944858 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.