CID 82658120

2243513-22-4

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CNCC1C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C8H10N2O2S/c11-8(12)6-4-13-7(10-6)5-1-2-9-3-5/h4-5,9H,1-3H2,(H,11,12)
InChIKey
DQPINKNJCGAJMQ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0463 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 142.8
[M+Na]+ 221.03552 151.0
[M+NH4]+ 216.08012 150.0
[M+K]+ 237.00946 148.7
[M-H]- 197.03902 142.9
[M+Na-2H]- 219.02097 145.8
[M]+ 198.04575 143.9
[M]- 198.04685 143.9
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.