CID 304722

Nsc201411

Structural Information

Molecular Formula
C9H19O4P
SMILES
CCOP1(=O)OCC(CO1)C(C)(C)C
InChI
InChI=1S/C9H19O4P/c1-5-11-14(10)12-6-8(7-13-14)9(2,3)4/h8H,5-7H2,1-4H3
InChIKey
UBJXAHZWQODILY-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-ethoxy-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10938 150.8
[M+Na]+ 245.09132 157.3
[M-H]- 221.09482 154.3
[M+NH4]+ 240.13592 169.3
[M+K]+ 261.06526 160.0
[M+H-H2O]+ 205.09936 144.2
[M+HCOO]- 267.10030 173.9
[M+CH3COO]- 281.11595 187.3
[M+Na-2H]- 243.07677 156.1
[M]+ 222.10155 154.4
[M]- 222.10265 154.4
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.