CID 122520

Phosphonic acid, p,p'-((dimethylamino)methylene)di-

Structural Information

Molecular Formula
C3H11NO6P2
SMILES
CN(C)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C3H11NO6P2/c1-4(2)3(11(5,6)7)12(8,9)10/h3H,1-2H3,(H2,5,6,7)(H2,8,9,10)
InChIKey
BFDMEODWJJUORJ-UHFFFAOYSA-N
Compound name
[dimethylamino(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1075
Patents

219.00616 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01344 147.0
[M+Na]+ 241.99538 152.5
[M-H]- 217.99888 141.3
[M+NH4]+ 237.03998 163.7
[M+K]+ 257.96932 153.7
[M+H-H2O]+ 202.00342 138.7
[M+HCOO]- 264.00436 174.8
[M+CH3COO]- 278.02001 183.0
[M+Na-2H]- 239.98083 148.2
[M]+ 219.00561 148.3
[M]- 219.00671 148.3
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

patents stripe