CID 479441

N-decyl acetoamidophosphonic acid

Structural Information

Molecular Formula
C12H26NO3P
SMILES
CCCCCCCCCCP(=O)(CC(=O)N)O
InChI
InChI=1S/C12H26NO3P/c1-2-3-4-5-6-7-8-9-10-17(15,16)11-12(13)14/h2-11H2,1H3,(H2,13,14)(H,15,16)
InChIKey
MHMMHZVCRNAYMX-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl)-decylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.16504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17232 170.4
[M+Na]+ 286.15426 173.9
[M-H]- 262.15776 166.5
[M+NH4]+ 281.19886 186.3
[M+K]+ 302.12820 171.7
[M+H-H2O]+ 246.16230 162.4
[M+HCOO]- 308.16324 194.6
[M+CH3COO]- 322.17889 199.2
[M+Na-2H]- 284.13971 168.7
[M]+ 263.16449 173.5
[M]- 263.16559 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.