CID 24229715

941716-91-2

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CCN(C1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H10N2O2S/c11-7(12)6-5-9-8(13-6)10-3-1-2-4-10/h5H,1-4H2,(H,11,12)
InChIKey
KPQGRYOIUITVHX-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

198.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 142.5
[M+Na]+ 221.035518 150.6
[M-H]- 197.039024 146.0
[M+NH4]+ 216.080123 162.5
[M+K]+ 237.009458 148.7
[M+H-H2O]+ 181.043560 136.2
[M+HCOO]- 243.044501 158.2
[M+CH3COO]- 257.060151 176.8
[M+Na-2H]- 219.020966 141.0
[M]+ 198.04575142 142.0
[M]- 198.04684858 142.0
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

patents stripe