CID 17753979

2-amino-3-hydroxy-3-phosphonooxy-propionic acid

Structural Information

Molecular Formula
C3H8NO7P
SMILES
[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C3H8NO7P/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H2,8,9,10)/t1-,3+/m1/s1
InChIKey
JVLKWZAWYDOHCD-GPKNORDASA-N
Compound name
(2S,3S)-2-amino-3-hydroxy-3-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.00385 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01113 138.5
[M+Na]+ 223.99307 143.4
[M-H]- 199.99657 131.8
[M+NH4]+ 219.03767 154.0
[M+K]+ 239.96701 144.2
[M+H-H2O]+ 184.00111 131.8
[M+HCOO]- 246.00205 160.0
[M+CH3COO]- 260.01770 175.8
[M+Na-2H]- 221.97852 138.2
[M]+ 201.00330 136.7
[M]- 201.00440 136.7
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.