CID 4962278

1052545-34-2

Structural Information

Molecular Formula
C9H17NO2S
SMILES
C1CCC(C1)NC2CCS(=O)(=O)C2
InChI
InChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2
InChIKey
BHRLZTFOPZEOCL-UHFFFAOYSA-N
Compound name
N-cyclopentyl-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

203.098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 144.9
[M+Na]+ 226.08722 151.3
[M-H]- 202.09072 151.3
[M+NH4]+ 221.13182 169.4
[M+K]+ 242.06116 149.2
[M+H-H2O]+ 186.09526 140.3
[M+HCOO]- 248.09620 163.3
[M+CH3COO]- 262.11185 180.6
[M+Na-2H]- 224.07267 145.1
[M]+ 203.09745 142.2
[M]- 203.09855 142.2
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

No patent data available for this compound.