CID 3040778

Brn 1965602

Structural Information

Molecular Formula
C9H17O4P
SMILES
CCCCCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C9H17O4P/c1-2-3-4-5-9-6-11-14(10,12-7-9)13-8-9/h2-8H2,1H3
InChIKey
UEAXNVANDLGABW-UHFFFAOYSA-N
Compound name
4-pentyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08644 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09372 150.5
[M+Na]+ 243.07566 159.7
[M+NH4]+ 238.12026 162.3
[M+K]+ 259.04960 150.8
[M-H]- 219.07916 151.3
[M+Na-2H]- 241.06111 148.7
[M]+ 220.08589 152.2
[M]- 220.08699 152.2
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

No patent data available for this compound.