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]+ 201.069226 143.3
[M+Na]+ 223.051168 150.4
[M-H]- 199.054674 144.6
[M+NH4]+ 218.095773 162.5
[M+K]+ 239.025108 148.3
[M+H-H2O]+ 183.059210 137.1
[M+HCOO]- 245.060151 160.3
[M+CH3COO]- 259.075801 183.1
[M+Na-2H]- 221.036616 143.3
[M]+ 200.06140142 144.9
[M]- 200.06249858 144.9
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.