CID 30819

21820-51-9

Structural Information

Molecular Formula
C9H12NO6P
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKey
DCWXELXMIBXGTH-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9083
References

57373
Patents

261.04022 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04750 155.4
[M+Na]+ 284.02944 160.5
[M-H]- 260.03294 153.3
[M+NH4]+ 279.07404 169.4
[M+K]+ 300.00338 159.4
[M+H-H2O]+ 244.03748 147.2
[M+HCOO]- 306.03842 178.8
[M+CH3COO]- 320.05407 189.7
[M+Na-2H]- 282.01489 155.7
[M]+ 261.03967 154.8
[M]- 261.04077 154.8
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.