CID 93263

51486-74-9

Structural Information

Molecular Formula
C7H13O4P
SMILES
CCCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C7H13O4P/c1-2-3-7-4-9-12(8,10-5-7)11-6-7/h2-6H2,1H3
InChIKey
UQIFWHFHQUNJBT-UHFFFAOYSA-N
Compound name
4-propyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.05515 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.062426 139.3
[M+Na]+ 215.044368 145.4
[M-H]- 191.047874 137.3
[M+NH4]+ 210.088973 163.4
[M+K]+ 231.018308 148.2
[M+H-H2O]+ 175.052410 132.3
[M+HCOO]- 237.053351 154.9
[M+CH3COO]- 251.069001 184.9
[M+Na-2H]- 213.029816 152.5
[M]+ 192.05460142 146.0
[M]- 192.05569858 146.0
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