CID 18913386

73384-94-8

Structural Information

Molecular Formula
C5H13NO8P2
SMILES
CC(NCCC(=O)O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H13NO8P2/c1-5(15(9,10)11,16(12,13)14)6-3-2-4(7)8/h6H,2-3H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKey
VPRHJIQBWBXGNE-UHFFFAOYSA-N
Compound name
3-(1,1-diphosphonoethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

277.01163 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01891 157.0
[M+Na]+ 300.00085 158.0
[M+NH4]+ 295.04545 157.6
[M+K]+ 315.97479 162.1
[M-H]- 276.00435 147.4
[M+Na-2H]- 297.98630 152.6
[M]+ 277.01108 153.3
[M]- 277.01218 153.3
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

patents stripe