CID 17754161

2-amino-3-(diethoxy-phosphoryloxy)-propionic acid

Structural Information

Molecular Formula
C7H16NO6P
SMILES
CCOP(=O)(OCC)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKey
MOFCKRBDMJNCOC-LURJTMIESA-N
Compound name
(2S)-2-amino-3-diethoxyphosphoryloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07152 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07880 152.7
[M+Na]+ 264.06074 157.8
[M-H]- 240.06424 149.7
[M+NH4]+ 259.10534 169.2
[M+K]+ 280.03468 159.0
[M+H-H2O]+ 224.06878 145.1
[M+HCOO]- 286.06972 178.4
[M+CH3COO]- 300.08537 191.4
[M+Na-2H]- 262.04619 153.3
[M]+ 241.07097 157.6
[M]- 241.07207 157.6
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.