CID 135413428

2-(cyclopentylamino)-4,5-dihydro-1,3-thiazol-4-one

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1CCC(C1)N=C2NC(=O)CS2
InChI
InChI=1S/C8H12N2OS/c11-7-5-12-8(10-7)9-6-3-1-2-4-6/h6H,1-5H2,(H,9,10,11)
InChIKey
ZJWSRVZPMILSPY-UHFFFAOYSA-N
Compound name
2-cyclopentylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 141.3
[M+Na]+ 207.056248 147.6
[M-H]- 183.059754 146.5
[M+NH4]+ 202.100853 163.4
[M+K]+ 223.030188 145.3
[M+H-H2O]+ 167.064290 135.1
[M+HCOO]- 229.065231 158.7
[M+CH3COO]- 243.080881 177.8
[M+Na-2H]- 205.041696 140.1
[M]+ 184.06648142 136.9
[M]- 184.06757858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.