CID 43468858

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

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=CSC(=N1)NC(C)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-4-3-12-7(8-4)9-5(2)6(10)11/h3,5H,1-2H3,(H,8,9)(H,10,11)
InChIKey
KBSQOUBWSOTEEC-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.8
[M+Na]+ 209.03552 146.4
[M-H]- 185.03902 140.4
[M+NH4]+ 204.08012 158.6
[M+K]+ 225.00946 144.6
[M+H-H2O]+ 169.04356 132.8
[M+HCOO]- 231.04450 156.2
[M+CH3COO]- 245.06015 180.1
[M+Na-2H]- 207.02097 139.3
[M]+ 186.04575 140.1
[M]- 186.04685 140.1
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.