CID 320701

7114-59-2

Structural Information

Molecular Formula
C7H16NO2PS
SMILES
CCN(CC)P1(=S)OCC(O1)C
InChI
InChI=1S/C7H16NO2PS/c1-4-8(5-2)11(12)9-6-7(3)10-11/h7H,4-6H2,1-3H3
InChIKey
UABLRRXOTFPVIM-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2lambda5-dioxaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06393 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07121 143.2
[M+Na]+ 232.05315 150.2
[M-H]- 208.05665 148.3
[M+NH4]+ 227.09775 164.8
[M+K]+ 248.02709 152.2
[M+H-H2O]+ 192.06119 136.5
[M+HCOO]- 254.06213 166.7
[M+CH3COO]- 268.07778 189.1
[M+Na-2H]- 230.03860 143.8
[M]+ 209.06338 147.9
[M]- 209.06448 147.9
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.