CID 198926

Phosphicin

Structural Information

Molecular Formula
C8H22N2O4P2
SMILES
CC(C)P(=O)(NCCNP(=O)(C(C)C)O)O
InChI
InChI=1S/C8H22N2O4P2/c1-7(2)15(11,12)9-5-6-10-16(13,14)8(3)4/h7-8H,5-6H2,1-4H3,(H2,9,11,12)(H2,10,13,14)
InChIKey
VDFLMGRNAYNTBN-UHFFFAOYSA-N
Compound name
N-[2-[[hydroxy(propan-2-yl)phosphoryl]amino]ethyl]-propan-2-ylphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.10547 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11275 169.5
[M+Na]+ 295.09469 172.7
[M-H]- 271.09819 164.4
[M+NH4]+ 290.13929 170.4
[M+K]+ 311.06863 172.5
[M+H-H2O]+ 255.10273 160.0
[M+HCOO]- 317.10367 197.7
[M+CH3COO]- 331.11932 201.2
[M+Na-2H]- 293.08014 168.2
[M]+ 272.10492 170.7
[M]- 272.10602 170.8
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

No patent data available for this compound.