CID 80101

5995-42-6

Structural Information

Molecular Formula

C₄H₁₃NO₇P₂

SMILES

C(CO)N(CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C4H13NO7P2/c6-2-1-5(3-13(7,8)9)4-14(10,11)12/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12)

InChIKey

YAWYUSRBDMEKHZ-UHFFFAOYSA-N

Compound name

[2-hydroxyethyl(phosphonomethyl)amino]methylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1897
Patents: 249.01672 Da
Monoisotopic Mass: -6.2
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]+	250.02400	152.8
[M+Na]+	272.00594	155.2
[M+NH4]+	267.05054	154.1
[M+K]+	287.97988	157.4
[M-H]-	248.00944	144.9
[M+Na-2H]-	269.99139	149.5
[M]+	249.01617	149.8
[M]-	249.01727	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe