CID 16769362

2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC1=NC(=CS1)CNC(C)C(=O)O
InChI
InChI=1S/C8H12N2O2S/c1-5(8(11)12)9-3-7-4-13-6(2)10-7/h4-5,9H,3H2,1-2H3,(H,11,12)
InChIKey
DQBGNVNMHNJJHS-UHFFFAOYSA-N
Compound name
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 144.0
[M+Na]+ 223.05117 152.1
[M+NH4]+ 218.09577 150.9
[M+K]+ 239.02511 148.2
[M-H]- 199.05467 143.8
[M+Na-2H]- 221.03662 146.7
[M]+ 200.06140 145.1
[M]- 200.06250 145.1
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.