CID 121605

29972-71-2

Structural Information

Molecular Formula
C8H15O4PS
SMILES
CCOP(=O)(OCCOC)SCC#C
InChI
InChI=1S/C8H15O4PS/c1-4-8-14-13(9,11-5-2)12-7-6-10-3/h1H,5-8H2,2-3H3
InChIKey
BLUDSFRIPALJCR-UHFFFAOYSA-N
Compound name
3-[ethoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04286 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.050136 145.6
[M+Na]+ 261.032078 154.4
[M-H]- 237.035584 145.0
[M+NH4]+ 256.076683 162.8
[M+K]+ 277.006018 154.0
[M+H-H2O]+ 221.040120 132.8
[M+HCOO]- 283.041061 163.4
[M+CH3COO]- 297.056711 197.0
[M+Na-2H]- 259.017526 146.6
[M]+ 238.04231142 149.3
[M]- 238.04340858 149.3
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.