CID 122480

29777-85-3

Structural Information

Molecular Formula
C7H13O4PS
SMILES
COCCOP(=O)(OC)SCC#C
InChI
InChI=1S/C7H13O4PS/c1-4-7-13-12(8,10-3)11-6-5-9-2/h1H,5-7H2,2-3H3
InChIKey
JBVOUMDVJOUOOW-UHFFFAOYSA-N
Compound name
3-[methoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02722 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03450 141.7
[M+Na]+ 247.01644 150.8
[M-H]- 223.01994 141.2
[M+NH4]+ 242.06104 159.3
[M+K]+ 262.99038 150.6
[M+H-H2O]+ 207.02448 129.0
[M+HCOO]- 269.02542 159.7
[M+CH3COO]- 283.04107 194.3
[M+Na-2H]- 245.00189 143.0
[M]+ 224.02667 145.0
[M]- 224.02777 145.0
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.