CID 80098

94087-48-6

Structural Information

Molecular Formula
C10H25NO6P2
SMILES
CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey
YUABCDNZADIENZ-UHFFFAOYSA-N
Compound name
[octyl(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11572 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12300 180.8
[M+Na]+ 340.10494 183.5
[M-H]- 316.10844 174.0
[M+NH4]+ 335.14954 174.8
[M+K]+ 356.07888 182.6
[M+H-H2O]+ 300.11298 171.0
[M+HCOO]- 362.11392 189.9
[M+CH3COO]- 376.12957 203.2
[M+Na-2H]- 338.09039 179.7
[M]+ 317.11517 170.4
[M]- 317.11627 170.4
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.