CID 120311

Diallylphosphinic acid propyl ester

Structural Information

Molecular Formula
C9H17O2P
SMILES
CCCOP(=O)(CC=C)CC=C
InChI
InChI=1S/C9H17O2P/c1-4-7-11-12(10,8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3
InChIKey
WCGBZRRCPAFCHE-UHFFFAOYSA-N
Compound name
1-bis(prop-2-enyl)phosphoryloxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.09662 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10390 146.1
[M+Na]+ 211.08584 153.1
[M-H]- 187.08934 145.0
[M+NH4]+ 206.13044 166.7
[M+K]+ 227.05978 151.3
[M+H-H2O]+ 171.09388 139.5
[M+HCOO]- 233.09482 173.7
[M+CH3COO]- 247.11047 184.7
[M+Na-2H]- 209.07129 148.7
[M]+ 188.09607 150.8
[M]- 188.09717 150.8
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