CID 2207

6323-99-5

Structural Information

Molecular Formula
C4H10NO5P
SMILES
C(CP(=O)(O)O)C(C(=O)O)N
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
InChIKey
DDOQBQRIEWHWBT-UHFFFAOYSA-N
Compound name
2-amino-4-phosphonobutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

616
References

1262
Patents

183.02966 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03694 139.1
[M+Na]+ 206.01888 144.6
[M-H]- 182.02238 133.7
[M+NH4]+ 201.06348 156.4
[M+K]+ 221.99282 144.2
[M+H-H2O]+ 166.02692 132.5
[M+HCOO]- 228.02786 162.3
[M+CH3COO]- 242.04351 175.3
[M+Na-2H]- 204.00433 139.5
[M]+ 183.02911 137.4
[M]- 183.03021 137.4
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