CID 72941491

Dibutylamidodiphosphoric acid

Structural Information

Molecular Formula
C8H21NO6P2
SMILES
CCCCN(CCCC)P(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C8H21NO6P2/c1-3-5-7-9(8-6-4-2)16(10,11)15-17(12,13)14/h3-8H2,1-2H3,(H,10,11)(H2,12,13,14)
InChIKey
FWLZLRFPZLTBRF-UHFFFAOYSA-N
Compound name
N,N-dibutyl-phosphonooxyphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09168 170.1
[M+Na]+ 312.07362 174.2
[M-H]- 288.07712 164.9
[M+NH4]+ 307.11822 171.3
[M+K]+ 328.04756 174.6
[M+H-H2O]+ 272.08166 160.6
[M+HCOO]- 334.08260 186.5
[M+CH3COO]- 348.09825 199.5
[M+Na-2H]- 310.05907 170.6
[M]+ 289.08385 175.8
[M]- 289.08495 175.8
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.