CID 124190807

2193059-05-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

COC(=O)C1=NC2=C(S1)CCNC2

InChI

InChI=1S/C8H10N2O2S/c1-12-8(11)7-10-5-4-9-3-2-6(5)13-7/h9H,2-4H2,1H3

InChIKey

QYDYYMJQZBBJKZ-UHFFFAOYSA-N

Compound name

methyl 4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 198.0463 Da
Monoisotopic Mass: 0.6
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	141.2
[M+Na]+	221.03552	151.0
[M+NH4]+	216.08012	149.2
[M+K]+	237.00946	146.0
[M-H]-	197.03902	141.0
[M+Na-2H]-	219.02097	144.0
[M]+	198.04575	142.7
[M]-	198.04685	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe