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]+ 239.05014 145.6
[M+Na]+ 261.03208 154.4
[M-H]- 237.03558 145.0
[M+NH4]+ 256.07668 162.8
[M+K]+ 277.00602 154.0
[M+H-H2O]+ 221.04012 132.8
[M+HCOO]- 283.04106 163.4
[M+CH3COO]- 297.05671 197.0
[M+Na-2H]- 259.01753 146.6
[M]+ 238.04231 149.3
[M]- 238.04341 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.