CID 6507095

Aglycone 14a

Structural Information

Molecular Formula
C8H16NO4PS2
SMILES
CCOP(=O)(/N=C\1/SCC(S1)CO)OCC
InChI
InChI=1S/C8H16NO4PS2/c1-3-12-14(11,13-4-2)9-8-15-6-7(5-10)16-8/h7,10H,3-6H2,1-2H3/b9-8-
InChIKey
XXHGHJSFPMHSGF-HJWRWDBZSA-N
Compound name
[(2Z)-2-diethoxyphosphorylimino-1,3-dithiolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.02585 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03313 159.2
[M+Na]+ 308.01507 164.1
[M+NH4]+ 303.05967 165.4
[M+K]+ 323.98901 159.0
[M-H]- 284.01857 158.2
[M+Na-2H]- 306.00052 159.4
[M]+ 285.02530 160.0
[M]- 285.02640 160.0
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.