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]+ 199.053576 142.8
[M+Na]+ 221.035518 150.4
[M-H]- 197.039024 144.9
[M+NH4]+ 216.080123 162.0
[M+K]+ 237.009458 147.6
[M+H-H2O]+ 181.043560 136.7
[M+HCOO]- 243.044501 157.0
[M+CH3COO]- 257.060151 174.3
[M+Na-2H]- 219.020966 140.9
[M]+ 198.04575142 140.5
[M]- 198.04684858 140.5
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.