CID 12236

625-13-8

Structural Information

Molecular Formula
C9H23NO6P2
SMILES
CCN(CC)P(=O)(OC)OP(=O)(OCC)OCC
InChI
InChI=1S/C9H23NO6P2/c1-6-10(7-2)17(11,13-5)16-18(12,14-8-3)15-9-4/h6-9H2,1-5H3
InChIKey
BPVMXDTYQFIEOB-UHFFFAOYSA-N
Compound name
[diethylamino(methoxy)phosphoryl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10007 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10735 170.9
[M+Na]+ 326.08929 176.1
[M-H]- 302.09279 179.3
[M+NH4]+ 321.13389 187.1
[M+K]+ 342.06323 178.8
[M+H-H2O]+ 286.09733 160.8
[M+HCOO]- 348.09827 200.1
[M+CH3COO]- 362.11392 209.9
[M+Na-2H]- 324.07474 172.8
[M]+ 303.09952 179.0
[M]- 303.10062 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.