CID 580614

4h,5h,6h-cyclopenta[d][1,3]thiazole

Structural Information

Molecular Formula

SMILES

C1CC2=C(C1)SC=N2

InChI

InChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h4H,1-3H2

InChIKey

QCCKBDNIBZPFCH-UHFFFAOYSA-N

Compound name

5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 729
Patents: 125.02992 Da
Monoisotopic Mass: 1.7
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]+	126.037196	123.1
[M+Na]+	148.019138	133.1
[M-H]-	124.022644	127.1
[M+NH4]+	143.063743	149.5
[M+K]+	163.993078	131.8
[M+H-H2O]+	108.027180	118.4
[M+HCOO]-	170.028121	142.5
[M+CH3COO]-	184.043771	138.3
[M+Na-2H]-	146.004586	126.4
[M]+	125.02937142	124.2
[M]-	125.03046858	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe