CID 355789

Nsc610141

Structural Information

Molecular Formula

C₇H₉N₃O₂S

SMILES

COC(=O)NC1=CN2CCSC2=N1

InChI

InChI=1S/C7H9N3O2S/c1-12-7(11)9-5-4-10-2-3-13-6(10)8-5/h4H,2-3H2,1H3,(H,9,11)

InChIKey

HAQPBCWDZZDBSV-UHFFFAOYSA-N

Compound name

methyl N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.04155 Da
Monoisotopic Mass: 0.5
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]+	200.048826	140.8
[M+Na]+	222.030768	149.9
[M-H]-	198.034274	143.5
[M+NH4]+	217.075373	162.5
[M+K]+	238.004708	148.9
[M+H-H2O]+	182.038810	134.8
[M+HCOO]-	244.039751	159.1
[M+CH3COO]-	258.055401	181.3
[M+Na-2H]-	220.016216	142.7
[M]+	199.04100142	143.7
[M]-	199.04209858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.