CID 168622

26901-83-7

Structural Information

Molecular Formula
C6H15O3PS
SMILES
CCC(C)OP(=S)(OC)OC
InChI
InChI=1S/C6H15O3PS/c1-5-6(2)9-10(11,7-3)8-4/h6H,5H2,1-4H3
InChIKey
SSSIWWOONHEQQN-UHFFFAOYSA-N
Compound name
butan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055236 142.2
[M+Na]+ 221.037178 149.1
[M-H]- 197.040684 141.7
[M+NH4]+ 216.081783 162.8
[M+K]+ 237.011118 149.2
[M+H-H2O]+ 181.045220 135.1
[M+HCOO]- 243.046161 164.5
[M+CH3COO]- 257.061811 184.2
[M+Na-2H]- 219.022626 142.2
[M]+ 198.04741142 149.5
[M]- 198.04850858 149.5
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.