CID 10856066

41162-15-6

Structural Information

Molecular Formula
C6H13O4P
SMILES
CCC(=O)CP(=O)(OC)OC
InChI
InChI=1S/C6H13O4P/c1-4-6(7)5-11(8,9-2)10-3/h4-5H2,1-3H3
InChIKey
ZXNCLYVHPBPHNZ-UHFFFAOYSA-N
Compound name
1-dimethoxyphosphorylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

180.05515 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06243 138.5
[M+Na]+ 203.04437 146.1
[M-H]- 179.04787 138.0
[M+NH4]+ 198.08897 159.3
[M+K]+ 219.01831 147.2
[M+H-H2O]+ 163.05241 132.1
[M+HCOO]- 225.05335 166.4
[M+CH3COO]- 239.06900 181.4
[M+Na-2H]- 201.02982 141.9
[M]+ 180.05460 145.0
[M]- 180.05570 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe