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 149.1
[M+Na]+ 243.07566 154.3
[M-H]- 219.07916 146.7
[M+NH4]+ 238.12026 172.1
[M+K]+ 259.04960 156.7
[M+H-H2O]+ 203.08370 141.7
[M+HCOO]- 265.08464 164.0
[M+CH3COO]- 279.10029 190.8
[M+Na-2H]- 241.06111 161.2
[M]+ 220.08589 156.3
[M]- 220.08699 156.3
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.