CID 70605

Diethyl phosphoramidate

Structural Information

Molecular Formula
C4H12NO3P
SMILES
CCOP(=O)(N)OCC
InChI
InChI=1S/C4H12NO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)
InChIKey
MCQILDHFZKTBOD-UHFFFAOYSA-N
Compound name
[amino(ethoxy)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1335
Patents

153.05548 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06276 133.0
[M+Na]+ 176.04470 140.3
[M-H]- 152.04820 131.9
[M+NH4]+ 171.08930 154.3
[M+K]+ 192.01864 141.1
[M+H-H2O]+ 136.05274 126.3
[M+HCOO]- 198.05368 162.3
[M+CH3COO]- 212.06933 177.6
[M+Na-2H]- 174.03015 137.3
[M]+ 153.05493 136.5
[M]- 153.05603 136.5
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