CID 198684

3-hydroxy-5-phosphononorvaline

Structural Information

Molecular Formula
C5H12NO6P
SMILES
C(CP(=O)(O)O)C([C@@H](C(=O)O)N)O
InChI
InChI=1S/C5H12NO6P/c6-4(5(8)9)3(7)1-2-13(10,11)12/h3-4,7H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3?,4-/m0/s1
InChIKey
NRNBPDOHOFLVAD-BKLSDQPFSA-N
Compound name
(2S)-2-amino-3-hydroxy-5-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04022 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04750 146.4
[M+Na]+ 236.02944 150.7
[M-H]- 212.03294 139.5
[M+NH4]+ 231.07404 161.6
[M+K]+ 252.00338 150.4
[M+H-H2O]+ 196.03748 139.6
[M+HCOO]- 258.03842 167.0
[M+CH3COO]- 272.05407 179.5
[M+Na-2H]- 234.01489 144.8
[M]+ 213.03967 144.0
[M]- 213.04077 144.0
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.