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 143.2
[M+Na]+ 234.03242 148.5
[M-H]- 210.03592 141.9
[M+NH4]+ 229.07702 164.3
[M+K]+ 250.00636 146.3
[M+H-H2O]+ 194.04046 137.0
[M+HCOO]- 256.04140 163.2
[M+CH3COO]- 270.05705 178.1
[M+Na-2H]- 232.01787 143.5
[M]+ 211.04265 141.1
[M]- 211.04375 141.1
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.