CID 146155442

2416235-81-7

Structural Information

Molecular Formula
C13H21O6P
SMILES
CCOP(=O)(CC(=O)C12CC(C1)(C2)C(=O)OC)OCC
InChI
InChI=1S/C13H21O6P/c1-4-18-20(16,19-5-2)6-10(14)12-7-13(8-12,9-12)11(15)17-3/h4-9H2,1-3H3
InChIKey
CTXGELKTJVHPHT-UHFFFAOYSA-N
Compound name
methyl 3-(2-diethoxyphosphorylacetyl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10757 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11485 191.3
[M+Na]+ 327.09679 191.6
[M-H]- 303.10029 192.4
[M+NH4]+ 322.14139 192.9
[M+K]+ 343.07073 198.9
[M+H-H2O]+ 287.10483 176.2
[M+HCOO]- 349.10577 204.4
[M+CH3COO]- 363.12142 225.6
[M+Na-2H]- 325.08224 192.2
[M]+ 304.10702 220.9
[M]- 304.10812 220.9
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.