CID 3051630

Brn 2254806

Structural Information

Molecular Formula
C6H11O4P
SMILES
CC1C2(COP(=O)(O1)OC2)C
InChI
InChI=1S/C6H11O4P/c1-5-6(2)3-8-11(7,10-5)9-4-6/h5H,3-4H2,1-2H3
InChIKey
LJOCPDNNEOUEKQ-UHFFFAOYSA-N
Compound name
3,4-dimethyl-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

178.03949 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04677 134.4
[M+Na]+ 201.02871 141.8
[M-H]- 177.03221 133.0
[M+NH4]+ 196.07331 159.4
[M+K]+ 217.00265 144.9
[M+H-H2O]+ 161.03675 127.9
[M+HCOO]- 223.03769 150.3
[M+CH3COO]- 237.05334 183.2
[M+Na-2H]- 199.01416 147.7
[M]+ 178.03894 141.2
[M]- 178.04004 141.2
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.