CID 165945521

(3-aminocyclopentyl)(imino)methyl-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C6H14N2OS
SMILES
CS(=N)(=O)C1CCC(C1)N
InChI
InChI=1S/C6H14N2OS/c1-10(8,9)6-3-2-5(7)4-6/h5-6,8H,2-4,7H2,1H3
InChIKey
TUEDIQSPXOBHFF-UHFFFAOYSA-N
Compound name
3-(methylsulfonimidoyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.089966 133.7
[M+Na]+ 185.071908 140.4
[M-H]- 161.075414 136.8
[M+NH4]+ 180.116513 155.9
[M+K]+ 201.045848 138.0
[M+H-H2O]+ 145.079950 128.6
[M+HCOO]- 207.080891 151.8
[M+CH3COO]- 221.096541 177.8
[M+Na-2H]- 183.057356 135.7
[M]+ 162.08214142 129.9
[M]- 162.08323858 129.9
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.