CID 24274648

2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetic acid dihydrochloride

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
C1=C(N=C(S1)CCN)CC(=O)O
InChI
InChI=1S/C7H10N2O2S/c8-2-1-6-9-5(4-12-6)3-7(10)11/h4H,1-3,8H2,(H,10,11)
InChIKey
YBQNHRMXAPVPIZ-UHFFFAOYSA-N
Compound name
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.4
[M+Na]+ 209.03552 146.4
[M-H]- 185.03902 139.4
[M+NH4]+ 204.08012 158.0
[M+K]+ 225.00946 143.6
[M+H-H2O]+ 169.04356 132.3
[M+HCOO]- 231.04450 156.2
[M+CH3COO]- 245.06015 178.6
[M+Na-2H]- 207.02097 139.0
[M]+ 186.04575 139.3
[M]- 186.04685 139.3
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.