CID 406071

[(cyclopentylamino)-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C6H15NO6P2
SMILES
C1CCC(C1)NC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-5-3-1-2-4-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
LYSZBLYYIMZCOO-UHFFFAOYSA-N
Compound name
[(cyclopentylamino)-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

259.03748 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04476 156.7
[M+Na]+ 282.02670 159.1
[M-H]- 258.03020 151.7
[M+NH4]+ 277.07130 172.0
[M+K]+ 298.00064 158.7
[M+H-H2O]+ 242.03474 147.7
[M+HCOO]- 304.03568 182.0
[M+CH3COO]- 318.05133 185.3
[M+Na-2H]- 280.01215 156.4
[M]+ 259.03693 152.6
[M]- 259.03803 152.6
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