CID 203109

Brn 2720180

Structural Information

Molecular Formula
C6H14NO3PS
SMILES
C1CCC(C1)(CSP(=O)(O)O)N
InChI
InChI=1S/C6H14NO3PS/c7-6(3-1-2-4-6)5-12-11(8,9)10/h1-5,7H2,(H2,8,9,10)
InChIKey
KXKZOALAPHPPRL-UHFFFAOYSA-N
Compound name
(1-aminocyclopentyl)methylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0432 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05048 143.1
[M+Na]+ 234.03242 147.9
[M+NH4]+ 229.07702 150.8
[M+K]+ 250.00636 143.7
[M-H]- 210.03592 141.4
[M+Na-2H]- 232.01787 145.5
[M]+ 211.04265 143.3
[M]- 211.04375 143.3
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.