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

24
Patents

198.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 142.5
[M+Na]+ 221.03552 150.6
[M-H]- 197.03902 146.0
[M+NH4]+ 216.08012 162.5
[M+K]+ 237.00946 148.7
[M+H-H2O]+ 181.04356 136.2
[M+HCOO]- 243.04450 158.2
[M+CH3COO]- 257.06015 176.8
[M+Na-2H]- 219.02097 141.0
[M]+ 198.04575 142.0
[M]- 198.04685 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