CID 5276570

[[ethyl(methyl)amino]-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C4H13NO6P2
SMILES
CCN(C)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C4H13NO6P2/c1-3-5(2)4(12(6,7)8)13(9,10)11/h4H,3H2,1-2H3,(H2,6,7,8)(H2,9,10,11)
InChIKey
AZAJTTWZXBFMHU-UHFFFAOYSA-N
Compound name
[[ethyl(methyl)amino]-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

233.0218 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02908 151.9
[M+Na]+ 256.01102 156.9
[M-H]- 232.01452 146.0
[M+NH4]+ 251.05562 168.0
[M+K]+ 271.98496 157.9
[M+H-H2O]+ 216.01906 143.4
[M+HCOO]- 278.02000 179.3
[M+CH3COO]- 292.03565 186.0
[M+Na-2H]- 253.99647 152.6
[M]+ 233.02125 153.5
[M]- 233.02235 153.5
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

patents stripe