CID 405378

Hpebp

Structural Information

Molecular Formula
C5H14O7P2
SMILES
CCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H14O7P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChIKey
QGLGFSYSGKZIMF-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonopentyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

124
Patents

248.02148 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02876 160.1
[M+Na]+ 271.01070 165.3
[M-H]- 247.01420 151.3
[M+NH4]+ 266.05530 141.7
[M+K]+ 286.98464 164.3
[M+H-H2O]+ 231.01874 152.3
[M+HCOO]- 293.01968 163.3
[M+CH3COO]- 307.03533 180.3
[M+Na-2H]- 268.99615 163.0
[M]+ 248.02093 161.1
[M]- 248.02203 161.1
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.