CID 9837914

Diethyl n-(tert-butoxycarbonyl)phosphoramidate

Structural Information

Molecular Formula
C9H20NO5P
SMILES
CCOP(=O)(NC(=O)OC(C)(C)C)OCC
InChI
InChI=1S/C9H20NO5P/c1-6-13-16(12,14-7-2)10-8(11)15-9(3,4)5/h6-7H2,1-5H3,(H,10,11,12)
InChIKey
MJJRHRHTDZXUKY-UHFFFAOYSA-N
Compound name
tert-butyl N-diethoxyphosphorylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

253.10791 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11519 159.4
[M+Na]+ 276.09713 165.2
[M-H]- 252.10063 158.5
[M+NH4]+ 271.14173 177.1
[M+K]+ 292.07107 166.6
[M+H-H2O]+ 236.10517 152.3
[M+HCOO]- 298.10611 185.9
[M+CH3COO]- 312.12176 195.9
[M+Na-2H]- 274.08258 162.9
[M]+ 253.10736 166.6
[M]- 253.10846 166.6
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

patents stripe