CID 21699743

4-(2-amino-1,3-thiazol-4-yl)butanoic acid

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
C1=C(N=C(S1)N)CCCC(=O)O
InChI
InChI=1S/C7H10N2O2S/c8-7-9-5(4-12-7)2-1-3-6(10)11/h4H,1-3H2,(H2,8,9)(H,10,11)
InChIKey
SGSNLIDODGFYDF-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

186.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.4
[M+Na]+ 209.03552 147.8
[M+NH4]+ 204.08012 146.4
[M+K]+ 225.00946 143.5
[M-H]- 185.03902 139.3
[M+Na-2H]- 207.02097 142.3
[M]+ 186.04575 140.6
[M]- 186.04685 140.6
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

patents stripe