CID 15839150

2-(methylphosphonoyl)propane

Structural Information

Molecular Formula
C4H10OP
SMILES
CC(C)[P+](=O)C
InChI
InChI=1S/C4H10OP/c1-4(2)6(3)5/h4H,1-3H3/q+1
InChIKey
CWDINIWRKWWGIR-UHFFFAOYSA-N
Compound name
methyl-oxo-propan-2-ylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

105.04693 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.05421 121.4
[M+Na]+ 128.03615 129.2
[M-H]- 104.03965 121.5
[M+NH4]+ 123.08075 145.0
[M+K]+ 144.01009 124.8
[M+H-H2O]+ 88.044190 118.4
[M+HCOO]- 150.04513 149.3
[M+CH3COO]- 164.06078 164.0
[M+Na-2H]- 126.02160 125.9
[M]+ 105.04638 122.0
[M]- 105.04748 122.0
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

patents stripe