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]+ 193.06243 141.1
[M+Na]+ 215.04437 146.7
[M-H]- 191.04787 139.1
[M+NH4]+ 210.08897 163.5
[M+K]+ 231.01831 150.0
[M+H-H2O]+ 175.05241 134.6
[M+HCOO]- 237.05335 155.8
[M+CH3COO]- 251.06900 187.2
[M+Na-2H]- 213.02982 151.5
[M]+ 192.05460 147.1
[M]- 192.05570 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.