CID 88256316

(r)-(1-hydroxyethyl)phosphonate

Structural Information

Molecular Formula
C2H7O4P
SMILES
C[C@H](O)P(=O)(O)O
InChI
InChI=1S/C2H7O4P/c1-2(3)7(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-/m1/s1
InChIKey
ZBURELSAUHPHKC-UWTATZPHSA-N
Compound name
[(1R)-1-hydroxyethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

126.008194 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.015470 125.3
[M+Na]+ 148.997412 132.8
[M-H]- 125.000918 120.9
[M+NH4]+ 144.042017 145.9
[M+K]+ 164.971352 132.6
[M+H-H2O]+ 109.005454 119.9
[M+HCOO]- 171.006395 149.5
[M+CH3COO]- 185.022045 162.4
[M+Na-2H]- 146.982860 128.7
[M]+ 126.00764542 124.8
[M]- 126.00874258 124.8
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

patents stripe