CID 170915158

Lithium(1+) 1-(1,3-thiazol-5-yl)azetidine-3-carboxylate

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1C(CN1C2=CN=CS2)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-7(11)5-2-9(3-5)6-1-8-4-12-6/h1,4-5H,2-3H2,(H,10,11)
InChIKey
VHBYWLZRHOKDKU-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-5-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 132.1
[M+Na]+ 207.019868 138.4
[M-H]- 183.023374 135.0
[M+NH4]+ 202.064473 144.1
[M+K]+ 222.993808 139.5
[M+H-H2O]+ 167.027910 119.9
[M+HCOO]- 229.028851 146.6
[M+CH3COO]- 243.044501 178.8
[M+Na-2H]- 205.005316 132.8
[M]+ 184.03010142 140.9
[M]- 184.03119858 140.9
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.