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]+ 199.05524 142.2
[M+Na]+ 221.03718 149.1
[M-H]- 197.04068 141.7
[M+NH4]+ 216.08178 162.8
[M+K]+ 237.01112 149.2
[M+H-H2O]+ 181.04522 135.1
[M+HCOO]- 243.04616 164.5
[M+CH3COO]- 257.06181 184.2
[M+Na-2H]- 219.02263 142.2
[M]+ 198.04741 149.5
[M]- 198.04851 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.