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]+ 187.053576 138.4
[M+Na]+ 209.035518 146.4
[M-H]- 185.039024 139.4
[M+NH4]+ 204.080123 158.0
[M+K]+ 225.009458 143.6
[M+H-H2O]+ 169.043560 132.3
[M+HCOO]- 231.044501 156.2
[M+CH3COO]- 245.060151 178.6
[M+Na-2H]- 207.020966 139.0
[M]+ 186.04575142 139.3
[M]- 186.04684858 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.