CID 735431

2-{5h,6h-imidazo[2,1-b][1,3]thiazol-3-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CN2C(=CSC2=N1)CC(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-6(11)3-5-4-12-7-8-1-2-9(5)7/h4H,1-3H2,(H,10,11)
InChIKey
KYLGVTXSFSDBGX-UHFFFAOYSA-N
Compound name
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 138.0
[M+Na]+ 207.01987 147.6
[M-H]- 183.02337 139.4
[M+NH4]+ 202.06447 159.9
[M+K]+ 222.99381 145.8
[M+H-H2O]+ 167.02791 132.7
[M+HCOO]- 229.02885 153.8
[M+CH3COO]- 243.04450 175.3
[M+Na-2H]- 205.00532 138.7
[M]+ 184.03010 140.0
[M]- 184.03120 140.0
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.