CID 3051634

Brn 2259963

Structural Information

Molecular Formula
C7H11O4P
SMILES
C1CC1C23COP(=O)(OC2)OC3
InChI
InChI=1S/C7H11O4P/c8-12-9-3-7(4-10-12,5-11-12)6-1-2-6/h6H,1-5H2
InChIKey
PFAUMLSNCUKLCX-UHFFFAOYSA-N
Compound name
4-cyclopropyl-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

190.03949 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04677 139.9
[M+Na]+ 213.02871 147.9
[M-H]- 189.03221 142.0
[M+NH4]+ 208.07331 158.8
[M+K]+ 229.00265 151.2
[M+H-H2O]+ 173.03675 131.7
[M+HCOO]- 235.03769 153.7
[M+CH3COO]- 249.05334 151.7
[M+Na-2H]- 211.01416 152.5
[M]+ 190.03894 147.7
[M]- 190.04004 147.7
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.