CID 9858035

15834-10-3

Structural Information

Molecular Formula
C3H12NO10P3
SMILES
C([N+](CP(=O)(O)O)(CP(=O)(O)O)[O-])P(=O)(O)O
InChI
InChI=1S/C3H12NO10P3/c5-4(1-15(6,7)8,2-16(9,10)11)3-17(12,13)14/h1-3H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKey
RJDKJZWFJWJOOI-UHFFFAOYSA-N
Compound name
1-phosphono-N,N-bis(phosphonomethyl)methanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

383
Patents

314.9674 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.97468 163.3
[M+Na]+ 337.95662 169.9
[M+NH4]+ 333.00122 174.0
[M+K]+ 353.93056 180.5
[M-H]- 313.96012 162.8
[M+Na-2H]- 335.94207 166.4
[M]+ 314.96685 167.1
[M]- 314.96795 167.1
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