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

6
Patents

289.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.091676 170.1
[M+Na]+ 312.073618 174.2
[M-H]- 288.077124 164.9
[M+NH4]+ 307.118223 171.3
[M+K]+ 328.047558 174.6
[M+H-H2O]+ 272.081660 160.6
[M+HCOO]- 334.082601 186.5
[M+CH3COO]- 348.098251 199.5
[M+Na-2H]- 310.059066 170.6
[M]+ 289.08385142 175.8
[M]- 289.08494858 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

patents stripe