CID 3051636

Brn 2259167

Structural Information

Molecular Formula
C7H13O4P
SMILES
CC(C)C1C2COP(=O)(O1)OC2
InChI
InChI=1S/C7H13O4P/c1-5(2)7-6-3-9-12(8,11-7)10-4-6/h5-7H,3-4H2,1-2H3
InChIKey
HBXQVIKSGSSJTQ-UHFFFAOYSA-N
Compound name
3-propan-2-yl-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

192.05515 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.062426 141.1
[M+Na]+ 215.044368 146.7
[M-H]- 191.047874 139.1
[M+NH4]+ 210.088973 163.5
[M+K]+ 231.018308 150.0
[M+H-H2O]+ 175.052410 134.6
[M+HCOO]- 237.053351 155.8
[M+CH3COO]- 251.069001 187.2
[M+Na-2H]- 213.029816 151.5
[M]+ 192.05460142 147.1
[M]- 192.05569858 147.1
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.