CID 5277471

68291-19-0

Structural Information

Molecular Formula
C8H19NO6P2
SMILES
CC1CCCC(N1C(P(=O)(O)O)P(=O)(O)O)C
InChI
InChI=1S/C8H19NO6P2/c1-6-4-3-5-7(2)9(6)8(16(10,11)12)17(13,14)15/h6-8H,3-5H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKey
DPJDBLQKCXWIKU-UHFFFAOYSA-N
Compound name
[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

287.06876 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07604 166.8
[M+Na]+ 310.05798 170.5
[M-H]- 286.06148 160.8
[M+NH4]+ 305.10258 179.1
[M+K]+ 326.03192 169.8
[M+H-H2O]+ 270.06602 157.5
[M+HCOO]- 332.06696 187.3
[M+CH3COO]- 346.08261 191.8
[M+Na-2H]- 308.04343 164.6
[M]+ 287.06821 163.8
[M]- 287.06931 163.8
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.