CID 580614

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

Structural Information

Molecular Formula
C6H7NS
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

507
Patents

125.02992 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03720 123.0
[M+Na]+ 148.01914 133.9
[M+NH4]+ 143.06374 133.8
[M+K]+ 163.99308 128.8
[M-H]- 124.02264 125.1
[M+Na-2H]- 146.00459 127.8
[M]+ 125.02937 125.5
[M]- 125.03047 125.5
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

patents stripe