CID 3062263

2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 4-(3-methylbutyl)-, 1-oxide

Structural Information

Molecular Formula
C9H17O4P
SMILES
CC(C)CCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C9H17O4P/c1-8(2)3-4-9-5-11-14(10,12-6-9)13-7-9/h8H,3-7H2,1-2H3
InChIKey
PQNFAOARTLLUMC-UHFFFAOYSA-N
Compound name
4-(3-methylbutyl)-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09372 150.5
[M+Na]+ 243.07566 155.4
[M-H]- 219.07916 148.0
[M+NH4]+ 238.12026 173.3
[M+K]+ 259.04960 158.2
[M+H-H2O]+ 203.08370 143.3
[M+HCOO]- 265.08464 164.3
[M+CH3COO]- 279.10029 191.6
[M+Na-2H]- 241.06111 161.3
[M]+ 220.08589 157.1
[M]- 220.08699 157.1
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.