CID 137347774

[(1r)-1-hydroxy-2-(trimethylamino)ethyl]phosphonate

Structural Information

Molecular Formula
C5H15NO4P
SMILES
C[N+](C)(C)C[C@H](O)P(=O)(O)O
InChI
InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1
InChIKey
YJIOAKRBBHTUPD-RXMQYKEDSA-O
Compound name
[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.07387 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08115 137.4
[M+Na]+ 207.06309 143.6
[M-H]- 183.06659 134.5
[M+NH4]+ 202.10769 156.2
[M+K]+ 223.03703 138.3
[M+H-H2O]+ 167.07113 134.6
[M+HCOO]- 229.07207 161.2
[M+CH3COO]- 243.08772 172.0
[M+Na-2H]- 205.04854 144.6
[M]+ 184.07332 136.7
[M]- 184.07442 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

literature stripe

Patent stripe

No patent data available for this compound.