CID 406057

[(nonylamino)-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C10H25NO6P2
SMILES
CCCCCCCCCNC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-9-11-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey
LACBURUYQJYAPW-UHFFFAOYSA-N
Compound name
[(nonylamino)-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

317.11572 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12300 181.9
[M+Na]+ 340.10494 184.1
[M-H]- 316.10844 171.9
[M+NH4]+ 335.14954 170.9
[M+K]+ 356.07888 182.5
[M+H-H2O]+ 300.11298 172.2
[M+HCOO]- 362.11392 186.6
[M+CH3COO]- 376.12957 200.9
[M+Na-2H]- 338.09039 180.2
[M]+ 317.11517 167.5
[M]- 317.11627 167.5
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.