CID 6335186

4090-60-2

Structural Information

Molecular Formula
C5H10O3P
SMILES
CC1(CO[P+](=O)OC1)C
InChI
InChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1
InChIKey
YTWYMHQAVLOJKT-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

459
Patents

149.03676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.04404 128.4
[M+Na]+ 172.02598 136.1
[M-H]- 148.02948 132.7
[M+NH4]+ 167.07058 149.5
[M+K]+ 187.99992 133.5
[M+H-H2O]+ 132.03402 125.0
[M+HCOO]- 194.03496 153.9
[M+CH3COO]- 208.05061 166.5
[M+Na-2H]- 170.01143 137.3
[M]+ 149.03621 128.4
[M]- 149.03731 128.4
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