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]+ 204.105276 144.9
[M+Na]+ 226.087218 151.3
[M-H]- 202.090724 151.3
[M+NH4]+ 221.131823 169.4
[M+K]+ 242.061158 149.2
[M+H-H2O]+ 186.095260 140.3
[M+HCOO]- 248.096201 163.3
[M+CH3COO]- 262.111851 180.6
[M+Na-2H]- 224.072666 145.1
[M]+ 203.09745142 142.2
[M]- 203.09854858 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.