CID 3055275

Brn 1964778

Structural Information

Molecular Formula
C10H23O5PS
SMILES
CCOCCOP(=O)(OCCOCC)SCC
InChI
InChI=1S/C10H23O5PS/c1-4-12-7-9-14-16(11,17-6-3)15-10-8-13-5-2/h4-10H2,1-3H3
InChIKey
LIYGVYJLRLLKJN-UHFFFAOYSA-N
Compound name
1-ethoxy-2-[2-ethoxyethoxy(ethylsulfanyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.10037 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10765 165.9
[M+Na]+ 309.08959 171.0
[M-H]- 285.09309 164.4
[M+NH4]+ 304.13419 182.8
[M+K]+ 325.06353 170.6
[M+H-H2O]+ 269.09763 157.4
[M+HCOO]- 331.09857 188.4
[M+CH3COO]- 345.11422 199.4
[M+Na-2H]- 307.07504 165.6
[M]+ 286.09982 178.1
[M]- 286.10092 178.1
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.