CID 471184

2-phosphonovaleric acid

Structural Information

Molecular Formula
C5H11O5P
SMILES
CCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C5H11O5P/c1-2-3-4(5(6)7)11(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKey
XFDMUBAPCIJDBR-UHFFFAOYSA-N
Compound name
2-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

334
Patents

182.03441 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04169 139.7
[M+Na]+ 205.02363 145.9
[M-H]- 181.02713 134.9
[M+NH4]+ 200.06823 157.9
[M+K]+ 220.99757 145.5
[M+H-H2O]+ 165.03167 133.7
[M+HCOO]- 227.03261 162.4
[M+CH3COO]- 241.04826 173.6
[M+Na-2H]- 203.00908 140.6
[M]+ 182.03386 140.5
[M]- 182.03496 140.5
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