CID 3069227

Phosphonothioic acid, 1-piperidinyl-, disodium salt

Structural Information

Molecular Formula
C5H12NO2PS
SMILES
C1CCN(CC1)P(=S)(O)O
InChI
InChI=1S/C5H12NO2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,10)
InChIKey
RQYVCNPKXXSPSF-UHFFFAOYSA-N
Compound name
dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03992 136.9
[M+Na]+ 204.02186 142.0
[M-H]- 180.02536 134.6
[M+NH4]+ 199.06646 154.9
[M+K]+ 219.99580 139.6
[M+H-H2O]+ 164.02990 129.2
[M+HCOO]- 226.03084 153.4
[M+CH3COO]- 240.04649 172.0
[M+Na-2H]- 202.00731 137.0
[M]+ 181.03209 132.8
[M]- 181.03319 132.8
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.