CID 3056462

Propylphosphonic acid diallyl ester

Structural Information

Molecular Formula
C9H17O3P
SMILES
CCCP(=O)(OCC=C)OCC=C
InChI
InChI=1S/C9H17O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-5H,1-2,6-9H2,3H3
InChIKey
MIDYLAHQPJPQIV-UHFFFAOYSA-N
Compound name
1-bis(prop-2-enoxy)phosphorylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.09154 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09882 148.8
[M+Na]+ 227.08076 155.7
[M-H]- 203.08426 147.6
[M+NH4]+ 222.12536 168.7
[M+K]+ 243.05470 154.4
[M+H-H2O]+ 187.08880 141.9
[M+HCOO]- 249.08974 176.6
[M+CH3COO]- 263.10539 186.7
[M+Na-2H]- 225.06621 151.6
[M]+ 204.09099 154.9
[M]- 204.09209 154.9
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