CID 3069225

Phosphoramidothioic acid, cyclohexyl-, disodium salt

Structural Information

Molecular Formula

C₆H₁₄NO₂PS

SMILES

C1CCC(CC1)NP(=S)(O)O

InChI

InChI=1S/C6H14NO2PS/c8-10(9,11)7-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8,9,11)

InChIKey

SXYKCAVOPAMNQN-UHFFFAOYSA-N

Compound name

N-dihydroxyphosphinothioylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 195.0483 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.055576	140.0
[M+Na]+	218.037518	143.7
[M-H]-	194.041024	138.7
[M+NH4]+	213.082123	158.3
[M+K]+	234.011458	141.0
[M+H-H2O]+	178.045560	132.5
[M+HCOO]-	240.046501	158.3
[M+CH3COO]-	254.062151	177.4
[M+Na-2H]-	216.022966	140.3
[M]+	195.04775142	135.0
[M]-	195.04884858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe