CID 145874732

6,7-dihydro-5h-pyrazolo[5,1-b][1,3]thiazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CN2C(=C(C=N2)C(=O)O)SC1
InChI
InChI=1S/C7H8N2O2S/c10-7(11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H,10,11)
InChIKey
KTXKNHUMABTKBI-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine-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]+ 185.03793 135.9
[M+Na]+ 207.01987 144.5
[M-H]- 183.02337 136.6
[M+NH4]+ 202.06447 155.9
[M+K]+ 222.99381 142.1
[M+H-H2O]+ 167.02791 130.2
[M+HCOO]- 229.02885 149.5
[M+CH3COO]- 243.04450 175.2
[M+Na-2H]- 205.00532 138.4
[M]+ 184.03010 135.6
[M]- 184.03120 135.6
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.