CID 6436926

Hercules 3653

Structural Information

Molecular Formula
C8H17O4PS
SMILES
CCOP(=O)(OCC)O/C(=C/SC)/C
InChI
InChI=1S/C8H17O4PS/c1-5-10-13(9,11-6-2)12-8(3)7-14-4/h7H,5-6H2,1-4H3/b8-7+
InChIKey
ZUCNWHJBRAUIQK-BQYQJAHWSA-N
Compound name
diethyl [(E)-1-methylsulfanylprop-1-en-2-yl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.05852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06580 153.0
[M+Na]+ 263.04774 159.3
[M-H]- 239.05124 152.1
[M+NH4]+ 258.09234 171.8
[M+K]+ 279.02168 158.8
[M+H-H2O]+ 223.05578 145.4
[M+HCOO]- 285.05672 175.1
[M+CH3COO]- 299.07237 190.5
[M+Na-2H]- 261.03319 152.3
[M]+ 240.05797 161.7
[M]- 240.05907 161.7
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.