CID 176915

17261-34-6

Structural Information

Molecular Formula

C₂H₉NO₆P₂

SMILES

C(NCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C2H9NO6P2/c4-10(5,6)1-3-2-11(7,8)9/h3H,1-2H2,(H2,4,5,6)(H2,7,8,9)

InChIKey

ISQSUCKLLKRTBZ-UHFFFAOYSA-N

Compound name

(phosphonomethylamino)methylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 723
Patents: 204.99051 Da
Monoisotopic Mass: -5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.99779	144.5
[M+Na]+	227.97973	150.3
[M-H]-	203.98323	137.3
[M+NH4]+	223.02433	161.0
[M+K]+	243.95367	149.7
[M+H-H2O]+	187.98777	136.2
[M+HCOO]-	249.98871	172.9
[M+CH3COO]-	264.00436	176.0
[M+Na-2H]-	225.96518	147.8
[M]+	204.98996	144.6
[M]-	204.99106	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe