CID 11149032

720720-96-7

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)O

InChI

InChI=1S/C8H10N2O2S/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12/h2-4H2,1H3,(H,11,12)

InChIKey

URPHLHADYVVAIF-UHFFFAOYSA-N

Compound name

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 198.0463 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.05358	141.3
[M+Na]+	221.03552	151.5
[M+NH4]+	216.08012	149.3
[M+K]+	237.00946	146.6
[M-H]-	197.03902	141.2
[M+Na-2H]-	219.02097	143.8
[M]+	198.04575	142.9
[M]-	198.04685	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe