CID 11228

4131 hc

Structural Information

Molecular Formula
C9H24NO5P2
SMILES
CC[N+](CC)(P(OCC)OCC)P(=O)(O)OC
InChI
InChI=1S/C9H23NO5P2/c1-6-10(7-2,17(11,12)13-5)16(14-8-3)15-9-4/h6-9H2,1-5H3/p+1
InChIKey
ZQMSSVRFIFUJMZ-UHFFFAOYSA-O
Compound name
diethoxyphosphanyl-diethyl-[hydroxy(methoxy)phosphoryl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11298 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12026 168.9
[M+Na]+ 311.10220 183.7
[M-H]- 287.10570 175.7
[M+NH4]+ 306.14680 181.0
[M+K]+ 327.07614 169.8
[M+H-H2O]+ 271.11024 162.3
[M+HCOO]- 333.11118 198.9
[M+CH3COO]- 347.12683 198.9
[M+Na-2H]- 309.08765 173.4
[M]+ 288.11243 174.3
[M]- 288.11353 174.3
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.