CID 1216

76326-31-3

Structural Information

Molecular Formula
C5H12NO5P
SMILES
C(CC(C(=O)O)N)CP(=O)(O)O
InChI
InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
InChIKey
VOROEQBFPPIACJ-UHFFFAOYSA-N
Compound name
2-amino-5-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4869
References

3546
Patents

197.0453 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.052576 143.8
[M+Na]+ 220.034518 148.8
[M-H]- 196.038024 138.2
[M+NH4]+ 215.079123 160.5
[M+K]+ 236.008458 148.2
[M+H-H2O]+ 180.042560 137.0
[M+HCOO]- 242.043501 166.7
[M+CH3COO]- 256.059151 178.4
[M+Na-2H]- 218.019966 143.7
[M]+ 197.04475142 142.5
[M]- 197.04584858 142.5
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