CID 6444524

Hercules 3004

Structural Information

Molecular Formula
C9H19O4PS
SMILES
CCOP(=O)(OCC)O/C=C/CSCC
InChI
InChI=1S/C9H19O4PS/c1-4-11-14(10,12-5-2)13-8-7-9-15-6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKey
LOQVMEJRUBEBFD-BQYQJAHWSA-N
Compound name
diethyl [(E)-3-ethylsulfanylprop-1-enyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08145 157.6
[M+Na]+ 277.06339 163.7
[M-H]- 253.06689 156.4
[M+NH4]+ 272.10799 175.9
[M+K]+ 293.03733 162.5
[M+H-H2O]+ 237.07143 149.6
[M+HCOO]- 299.07237 180.4
[M+CH3COO]- 313.08802 192.8
[M+Na-2H]- 275.04884 157.5
[M]+ 254.07362 167.3
[M]- 254.07472 167.3
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.