CID 70512

2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane

Structural Information

Molecular Formula
C7H15O3P
SMILES
CCOP1OCC(CO1)(C)C
InChI
InChI=1S/C7H15O3P/c1-4-8-11-9-5-7(2,3)6-10-11/h4-6H2,1-3H3
InChIKey
CNAJZRQKQRDTJQ-UHFFFAOYSA-N
Compound name
2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

178.07588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08316 140.5
[M+Na]+ 201.06510 147.0
[M-H]- 177.06860 144.0
[M+NH4]+ 196.10970 160.6
[M+K]+ 217.03904 149.8
[M+H-H2O]+ 161.07314 133.6
[M+HCOO]- 223.07408 165.2
[M+CH3COO]- 237.08973 180.2
[M+Na-2H]- 199.05055 145.4
[M]+ 178.07533 143.1
[M]- 178.07643 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe