CID 29082108

3-[(2-amino-1,3-thiazol-5-yl)methyl]benzoic acid

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1=CC(=CC(=C1)C(=O)O)CC2=CN=C(S2)N
InChI
InChI=1S/C11H10N2O2S/c12-11-13-6-9(16-11)5-7-2-1-3-8(4-7)10(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)
InChIKey
GPZBWIDDZJBVSL-UHFFFAOYSA-N
Compound name
3-[(2-amino-1,3-thiazol-5-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 150.1
[M+Na]+ 257.03552 161.2
[M+NH4]+ 252.08012 157.9
[M+K]+ 273.00946 155.8
[M-H]- 233.03902 152.9
[M+Na-2H]- 255.02097 156.2
[M]+ 234.04575 152.7
[M]- 234.04685 152.7
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.