CID 5276562

[[butyl(ethyl)amino]-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C7H19NO6P2
SMILES
CCCCN(CC)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H19NO6P2/c1-3-5-6-8(4-2)7(15(9,10)11)16(12,13)14/h7H,3-6H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
InChIKey
OFGDSVGBNRBVJT-UHFFFAOYSA-N
Compound name
[[butyl(ethyl)amino]-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

275.06876 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07604 166.3
[M+Na]+ 298.05798 170.1
[M-H]- 274.06148 159.9
[M+NH4]+ 293.10258 164.3
[M+K]+ 314.03192 170.5
[M+H-H2O]+ 258.06602 157.3
[M+HCOO]- 320.06696 176.6
[M+CH3COO]- 334.08261 195.0
[M+Na-2H]- 296.04343 165.5
[M]+ 275.06821 169.0
[M]- 275.06931 169.0
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.