CID 446920

3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid

Structural Information

Molecular Formula
C7H14NO6P
SMILES
C[C@H](CP(=O)([C@H](CC(=O)O)N)O)C(=O)O
InChI
InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1
InChIKey
NJOTXUMMTTYQMQ-RFZPGFLSSA-N
Compound name
(2S)-3-[[(1R)-1-amino-2-carboxyethyl]-hydroxyphosphoryl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05588 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06316 152.9
[M+Na]+ 262.04510 156.8
[M-H]- 238.04860 147.2
[M+NH4]+ 257.08970 167.7
[M+K]+ 278.01904 157.0
[M+H-H2O]+ 222.05314 145.9
[M+HCOO]- 284.05408 173.6
[M+CH3COO]- 298.06973 187.7
[M+Na-2H]- 260.03055 149.8
[M]+ 239.05533 151.8
[M]- 239.05643 151.8
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

No patent data available for this compound.