CID 2773807

5-phosphonopentanoic acid

Structural Information

Molecular Formula
C5H11O5P
SMILES
C(CCP(=O)(O)O)CC(=O)O
InChI
InChI=1S/C5H11O5P/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H2,8,9,10)
InChIKey
XWCXIPMQBWAVJA-UHFFFAOYSA-N
Compound name
5-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

206
Patents

182.03441 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04169 140.0
[M+Na]+ 205.02363 146.3
[M-H]- 181.02713 135.0
[M+NH4]+ 200.06823 158.2
[M+K]+ 220.99757 145.4
[M+H-H2O]+ 165.03167 133.8
[M+HCOO]- 227.03261 163.6
[M+CH3COO]- 241.04826 172.8
[M+Na-2H]- 203.00908 142.0
[M]+ 182.03386 141.4
[M]- 182.03496 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe