CID 371769

1,3,2-dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide

Structural Information

Molecular Formula
C6H13O4P
SMILES
CC1(COP(=O)(OC1)OC)C
InChI
InChI=1S/C6H13O4P/c1-6(2)4-9-11(7,8-3)10-5-6/h4-5H2,1-3H3
InChIKey
HHZSLQGPHYVMOQ-UHFFFAOYSA-N
Compound name
2-methoxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

180.05515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06243 134.1
[M+Na]+ 203.04437 142.2
[M-H]- 179.04787 138.2
[M+NH4]+ 198.08897 156.1
[M+K]+ 219.01831 145.5
[M+H-H2O]+ 163.05241 128.3
[M+HCOO]- 225.05335 159.6
[M+CH3COO]- 239.06900 178.3
[M+Na-2H]- 201.02982 141.3
[M]+ 180.05460 137.6
[M]- 180.05570 137.6
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

patents stripe