CID 5277464

Chembl55889

Structural Information

Molecular Formula
C10H15NO6P2
SMILES
C1CC2=C(C1)C=C(C=C2)NC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-4-7-2-1-3-8(7)6-9/h4-6,10-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)
InChIKey
AFAYEBZLLBUMBG-UHFFFAOYSA-N
Compound name
[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

307.03748 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04476 167.1
[M+Na]+ 330.02670 170.7
[M-H]- 306.03020 163.5
[M+NH4]+ 325.07130 181.8
[M+K]+ 346.00064 169.2
[M+H-H2O]+ 290.03474 158.1
[M+HCOO]- 352.03568 192.3
[M+CH3COO]- 366.05133 195.9
[M+Na-2H]- 328.01215 168.1
[M]+ 307.03693 164.9
[M]- 307.03803 164.9
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