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]+ 185.07431 141.3
[M+Na]+ 207.05625 147.6
[M-H]- 183.05975 146.5
[M+NH4]+ 202.10085 163.4
[M+K]+ 223.03019 145.3
[M+H-H2O]+ 167.06429 135.1
[M+HCOO]- 229.06523 158.7
[M+CH3COO]- 243.08088 177.8
[M+Na-2H]- 205.04170 140.1
[M]+ 184.06648 136.9
[M]- 184.06758 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.